Exact Mass: 289.1677848

Exact Mass Matches: 289.1677848

Found 462 metabolites which its exact mass value is equals to given mass value 289.1677848, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Hyoscyamine

BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, (3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, (.ALPHA.S)-

C17H23NO3 (289.1677848)


(S)-atropine is an atropine with a 2S-configuration. It is functionally related to a (S)-tropic acid. It is a conjugate base of a (S)-atropinium. Hyoscyamine is a tropane alkaloid and the levo-isomer of [atropine]. It is commonly extracted from plants in the Solanaceae or nightshade family. Research into the action of hyoscyamine in published literature dates back to 1826. Hyoscyamine is used for a wide variety of treatments and therapeutics due to its antimuscarinic properties. Although hyoscyamine is marketed in the United States, it is not FDA approved. Hyoscyamine as a natural plant alkaloid derivative and anticholinergic that is used to treat mild to moderate nausea, motion sickness, hyperactive bladder and allergic rhinitis. Hyoscyamine has not been implicated in causing liver enzyme elevations or clinically apparent acute liver injury. L-Hyoscyamine is a natural product found in Datura ferox, Crenidium spinescens, and other organisms with data available. Hyoscyamine is a belladonna alkaloid derivative and the levorotatory form of racemic atropine isolated from the plants Hyoscyamus niger or Atropa belladonna, which exhibits anticholinergic activity. Hyoscyamine functions as a non-selective, competitive antagonist of muscarinic receptors, thereby inhibiting the parasympathetic activities of acetylcholine on the salivary, bronchial, and sweat glands, as well as the eye, heart, bladder, and gastrointestinal tract. These inhibitory effects cause a decrease in saliva, bronchial mucus, gastric juices, and sweat. Furthermore, its inhibitory action on smooth muscle prevents bladder contraction and decreases gastrointestinal motility. The 3(S)-endo isomer of atropine. Hyoscyamine is a chemical compound, a tropane alkaloid it is the levo-isomer to atropine. It is a secondary metabolite of some plants, particularly henbane (Hyoscamus niger.). Hyoscyamine is used to provide symptomatic relief to various gastrointestinal disorders including spasms, peptic ulcers, irritable bowel syndrome, pancreatitis, colic and cystitis. It has also been used to relieve some heart problems, control some of the symptoms of Parkinsons disease, as well as for control of respiratory secretions in end of life care. A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03B - Belladonna and derivatives, plain > A03BA - Belladonna alkaloids, tertiary amines C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2269 D002491 - Central Nervous System Agents KEIO_ID H045; [MS2] KO008998 KEIO_ID H045 L-Hyoscyamine (Daturine), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist. L-Hyoscyamine is a levo-isomer to Atropine (HY-B1205)[1][2]. L-Hyoscyamine (Daturine), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist. L-Hyoscyamine is a levo-isomer to Atropine (HY-B1205)[1][2]. L-Hyoscyamine (Daturine), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist. L-Hyoscyamine is a levo-isomer to Atropine (HY-B1205)[1][2].

   

Mesembrine

(3aS,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol-6-one

C17H23NO3 (289.1677848)


Mesembrine is a member of pyrrolidines. (-)-Mesembrine is a natural product found in Mesembryanthemum cordifolium, Oscularia deltoides, and other organisms with data available.

   

Hyoscyamine

BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, ENDO-(+/-)-

C17H23NO3 (289.1677848)


Atropine is a racemate composed of equimolar concentrations of (S)- and (R)-atropine. It is obtained from deadly nightshade (Atropa belladonna) and other plants of the family Solanaceae. It has a role as a muscarinic antagonist, an anaesthesia adjuvant, an anti-arrhythmia drug, a mydriatic agent, a parasympatholytic, a bronchodilator agent, a plant metabolite, an antidote to sarin poisoning and a oneirogen. It contains a (S)-atropine and a (R)-atropine. Atropine is an alkaloid originally synthesized from Atropa belladonna. It is a racemic mixture of d-and l-hyoscyamine, of which only l-hyoscyamine is pharmacologically active. Atropine is generally available as a sulfate salt and can be administered by intravenous, subcutaneous, intramuscular, intraosseous, endotracheal and ophthalmic methods. Oral atropine is only available in combination products. Atropine is a competitive, reversible antagonist of muscarinic receptors that blocks the effects of acetylcholine and other choline esters. It has a variety of therapeutic applications, including pupil dilation and the treatment of anticholinergic poisoning and symptomatic bradycardia in the absence of reversible causes. Atropine is a relatively inexpensive drug and is included in the World Health Organization List of Essential Medicines. Atropine is an Anticholinergic and Cholinergic Muscarinic Antagonist. The mechanism of action of atropine is as a Cholinergic Antagonist and Cholinergic Muscarinic Antagonist. Hyoscyamine as a natural plant alkaloid derivative and anticholinergic that is used to treat mild to moderate nausea, motion sickness, hyperactive bladder and allergic rhinitis. Hyoscyamine has not been implicated in causing liver enzyme elevations or clinically apparent acute liver injury. Atropine is a natural product found in Cyphanthera tasmanica, Anthocercis ilicifolia, and other organisms with data available. Atropine Sulfate is the sulfate salt of atropine, a naturally-occurring alkaloid isolated from the plant Atropa belladonna. Atropine functions as a sympathetic, competitive antagonist of muscarinic cholinergic receptors, thereby abolishing the effects of parasympathetic stimulation. This agent may induce tachycardia, inhibit secretions, and relax smooth muscles. (NCI04) Atropine is a synthetically-derived form of the endogenous alkaloid isolated from the plant Atropa belladonna. Atropine functions as a sympathetic, competitive antagonist of muscarinic cholinergic receptors, thereby abolishing the effects of parasympathetic stimulation. This agent may induce tachycardia, inhibit secretions, and relax smooth muscles. (NCI04) Hyoscyamine is a belladonna alkaloid derivative and the levorotatory form of racemic atropine isolated from the plants Hyoscyamus niger or Atropa belladonna, which exhibits anticholinergic activity. Hyoscyamine functions as a non-selective, competitive antagonist of muscarinic receptors, thereby inhibiting the parasympathetic activities of acetylcholine on the salivary, bronchial, and sweat glands, as well as the eye, heart, bladder, and gastrointestinal tract. These inhibitory effects cause a decrease in saliva, bronchial mucus, gastric juices, and sweat. Furthermore, its inhibitory action on smooth muscle prevents bladder contraction and decreases gastrointestinal motility. An alkaloid, originally from Atropa belladonna, but found in other plants, mainly SOLANACEAE. Hyoscyamine is the 3(S)-endo isomer of atropine. A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03B - Belladonna and derivatives, plain > A03BA - Belladonna alkaloids, tertiary amines S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2292 INTERNAL_ID 2292; CONFIDENCE Reference Standard (Level 1) CONFIDENCE standard compound; EAWAG_UCHEM_ID 3334 D002491 - Central Nervous System Agents KEIO_ID A080; [MS2] KO008864 KEIO_ID A080 Atropine (Tropine tropate) is a competitive muscarinic acetylcholine receptor (mAChR) antagonist with IC50 values of 0.39 and 0.71 nM for Human mAChR M4 and Chicken mAChR M4, respectively. Atropine inhibits ACh-induced relaxations in human pulmonary veins. Atropine can be used for research of anti-myopia and bradycardia[1][2][3][4]. Atropine (Tropine tropate) is a competitive muscarinic acetylcholine receptor (mAChR) antagonist with IC50 values of 0.39 and 0.71 nM for Human mAChR M4 and Chicken mAChR M4, respectively. Atropine inhibits ACh-induced relaxations in human pulmonary veins. Atropine can be used for research of anti-myopia and bradycardia[1][2][3][4]. Atropine (Tropine tropate) is a competitive muscarinic acetylcholine receptor (mAChR) antagonist with IC50 values of 0.39 and 0.71 nM for Human mAChR M4 and Chicken mAChR M4, respectively. Atropine inhibits ACh-induced relaxations in human pulmonary veins. Atropine can be used for research of anti-myopia and bradycardia[1][2][3][4]. L-Hyoscyamine (Daturine), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist. L-Hyoscyamine is a levo-isomer to Atropine (HY-B1205)[1][2]. L-Hyoscyamine (Daturine), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist. L-Hyoscyamine is a levo-isomer to Atropine (HY-B1205)[1][2]. L-Hyoscyamine (Daturine), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist. L-Hyoscyamine is a levo-isomer to Atropine (HY-B1205)[1][2].

   

Benzoyl ecgonine

(1R,2R,3S,5S)-8-Methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylic acid

C16H19NO4 (289.1314014)


Benzoylecgonine is the major metabolite of cocaine. It is formed by hydrolysis of cocaine in the liver, catalysed by carboxylesterases. It is excreted in the urine of cocaine users after processing in the liver. [Wikipedia] CONFIDENCE standard compound; INTERNAL_ID 1590

   

Imazethapyr

5-ethyl-2-[5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid

C15H19N3O3 (289.1426344)


Imazethapyr is a widely used imidazolinone herbicide worldwide, and its potential adverse effects on non-target plants have raised concerns. Understanding the mechanisms of imazethapyr phytotoxicity is crucial for its agro-ecological risk assessment.

   

Ophthalmic acid

(2S)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]propyl]carbamoyl}butanoic acid

C11H19N3O6 (289.1273794)


Ophthalmic acid, also known as ophthalmate, belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Ophthalmic acid is a very strong basic compound (based on its pKa). Ophthalmic acid is an L-glutamine derivative in which L-glutamine is substituted by a 1--1-oxobutan-2-yl at the terminal amino nitrogen atom. Ophthalmic acid is an analogue of glutathione isolated from crystalline lens. Ophthalmic acid is an analogue of glutathione isolated from crystalline lens. [HMDB]

   

Dyclonine

1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one

C18H27NO2 (289.20416819999997)


Dyclonine is only found in individuals that have used or taken this drug. It is an oral anaesthetic found in Sucrets, an over the counter throat lozenge. It is also found in some varieties of the Cepacol sore throat spray.Dyclonine blocks both the initiation and conduction of nerve impulses by decreasing the neuronal membranes permeability to sodium ions. This reversibly stabilizes the membrane and inhibits depolarization, resulting in the failure of a propagated action potential and subsequent conduction blockade. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AD - Anesthetics, local D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent

   

Balfourodine

Furo(2,3-b)quinolin-4(9H)-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-8-methoxy-9-methyl-

C16H19NO4 (289.1314014)


   
   

Littorine

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2R)-2-hydroxy-3-phenylpropanoate

C17H23NO3 (289.1677848)


Littorine is a tropane alkaloid.

   

Zephyranthine

2,3,3a,4,5,7,12b,12c-Octahydro-1H,10H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol

C16H19NO4 (289.1314014)


   

Pseudolycorine

3,12-Didehydro-9-methoxygalanthan-1alpha,2beta,10-triol

C16H19NO4 (289.1314014)


   

Lycoramine

1,2-Dihydrogalanthamine #

C17H23NO3 (289.1677848)


Lycoramine, a dihydro-derivative of galanthamine, is isolated from Lycoris radiate. Lycoramine is a potent acetylcholinesterase (AChE) inhibitor[1][2]. Lycoramine, a dihydro-derivative of galanthamine, is isolated from Lycoris radiate. Lycoramine is a potent acetylcholinesterase (AChE) inhibitor[1][2].

   

cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester

cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester

C17H23NO3 (289.1677848)


   

3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one

3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one

C17H23NO3 (289.1677848)


   

N-(2-Hydroxyisobutyl)-2,4,8,10,12-tetradecapentaenamide

(2E,4E,8E,10E,12E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide

C18H27NO2 (289.20416819999997)


Hydroxy-gamma-sanshool is found in herbs and spices. Hydroxy-gamma-sanshool is a constituent of Zanthoxylum piperitum (Japanese pepper tree) Constituent of Zanthoxylum subspecies N-(2-Hydroxyisobutyl)-2,4,8,10,12-tetradecapentaenamide is found in herbs and spices.

   

L-Asp(4-L-Arg)

L-beta-aspartyl-L-arginine

C10H19N5O5 (289.1386124)


   

Tabtoxin

Tabtoxin

C11H19N3O6 (289.1273794)


A monobactam phytotoxic dipeptide produced by Pseudomonas syringae, that causes wildfire disease in tobacco.

   

Isotabtoxin

Isotabtoxin; delta-Tabtoxin

C11H19N3O6 (289.1273794)


   

Nefopam hydrochloride

Nefopam hydrochloride

C17H20ClNO (289.12333400000006)


C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000700 - Analgesics

   
   

trans-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester

trans-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester

C17H23NO3 (289.1677848)


   

Aspartyl-Arginine

2-[(2-amino-3-carboxy-1-hydroxypropylidene)amino]-5-carbamimidamidopentanoic acid

C10H19N5O5 (289.1386124)


Aspartyl-Arginine is a dipeptide composed of aspartate and arginine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

Arginylaspartic acid

(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]butanedioic acid

C10H19N5O5 (289.1386124)


Arginylaspartic acid is a dipeptide composed of arginine and aspartic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

   

3-Methylglutarylcarnitine

(3R)-3-{[(3R)-4-carboxy-3-methylbutanoyl]oxy}-4-(trimethylazaniumyl)butanoic acid

C13H23NO6 (289.1525298)


3-Methylglutarylcarnitine is an acylcarnitine. More specifically, it is an methylglutaric acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy.  This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-Methylglutarylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-methylglutarylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. In particular 3-methylglutarylcarnitine is elevated in the blood or plasma of individuals with psoriasis (PMID: 33391503), CVD (PMID: 32376321), Norman-Roberts syndrome (PMID: 15083694), type 2 diabetes Mellitus (PMID: 20111019, PMID: 19369366, PMID: 29436377), carnitine palmitoyl-trasferase 2 deficiency (PMID: 9657346), Familial Mediterranean Fever (PMID: 29900937), multiple acyl coenzyme A dehydrogenase Deficiency (PMID: 30510944), CVD in type 2 diabetes Mellitus (PMID: 32431666), and gestational diabetes mellitus (PMID: 29436377). It is also decreased in the blood or plasma of individuals with Celiac disease (PMID: 16425363). 3-Methylglutarylcarnitine is elevated in the urine of individuals with medium-chain acyl-CoA dehydrogenase deficiency (PMID: 1635814, PMID: 2246856). 3-Methylglutarylcarnitine is a diagnostic metabolite of 3-hydroxy-3-methylglutaryl-coenzyme A lyase deficiency. It is also identified in the urine of patients with Reye-like syndrome (PMID: 3958190 , 10927963 ). Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews]. 3-Methylglutarylcarnitine is a diagnostic metabolite of 3-hydroxy-3-methylglutaryl-coenzyme A lyase deficiency. It is also identified in the urine of patients with Reye like syndrome. (PMID 3958190; 10927963) [HMDB] 3-Methylglutarylcarnitine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=102673-95-0 (retrieved 2024-07-10) (CAS RN: 102673-95-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

Donepezil metabolite M4

(2S,3R,4E)-2-Alkanamido-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2Right3)-beta-D-galactopyranoside

C17H23NO3 (289.1677848)


Donepezil metabolite M4 is a metabolite of Donepezil. Donepezil, marketed under the trade name Aricept by its developer Eisai and partner Pfizer, and also marketed under the brand name DONEP by Alkem Pentacare, is a centrally acting reversible acetylcholinesterase inhibitor. Its main therapeutic use is in the palliative treatment of Alzheimers disease. Common side effects include gastrointestinal upset. It has an oral bioavailability of 100\\% and easily crosses the blood–brain barrier. Because it has a biological half-life of about 70 hours, it can be taken once a day. (Wikipedia)

   

Chlophedianol

1-(10-(3-(4-(2-Hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-yl)-1-propanone

C17H20ClNO (289.12333400000006)


Chlophedianol is only found in individuals that have used or taken this drug. It is a centrally-acting cough suppressant available in Canada under the trade name Ulone. It is not available in the United States.Chlophedianol suppresses the cough reflex by a direct effect on the cough center in the medulla of the brain. R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent

   

Chloropyramine

N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyridin-2-amine

C16H20ClN3 (289.134567)


Chloropyramine is a first generation antihistamine drug approved in some Eastern European countries for the treatment of allergic conjunctivitis, allergic rhinitis, bronchial asthma, and other atopic (allergic) conditions. Related indications for clinical use include Quinckes edema, allergic reactions to insect bites, food and drug allergies, and anaphylactic shock. D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AC - Substituted ethylene diamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist

   

Dihydro-2,4,6-tris(2-methylpropyl)-4h-1,3,5-dithiazine

1,3,5-Dithiazine, perhydro-2,4-dimethyl-6-(1-methylethyl)

C15H31NS2 (289.1897806)


Dihydro-2,4,6-tris(2-methylpropyl)-4h-1,3,5-dithiazine is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

Dihydroferuperine

(2E,4Z)-5-(4-hydroxy-5-methoxycyclohexa-1,5-dien-1-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one

C17H23NO3 (289.1677848)


Dihydroferuperine is found in herbs and spices. Dihydroferuperine is an alkaloid from pepper (Piper nigrum) (Piperaceae). Alkaloid from pepper (Piper nigrum) (Piperaceae). Dihydroferuperine is found in herbs and spices.

   

Norcocaine

2-Methyl 3-phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylic acid

C16H19NO4 (289.1314014)


Norcocaine belongs to the family of Beta Amino Acids and Derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

   

Hydroxylated N-acetyl desmethyl frovatriptan

6-acetamido-1-hydroxy-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide

C15H19N3O3 (289.1426344)


Hydroxylated N-acetyl desmethyl frovatriptan is a metabolite of frovatriptan. Frovatriptan (trade name Frova) is a triptan drug developed by Vernalis for the treatment of migraine headaches and for short term prevention of menstrual migraine. The product is licensed to Endo Pharmaceuticals in North America and Menarini in Europe. (Wikipedia)

   

3-Hydroxyheptanoylcarnitine

3-[(3-Hydroxyheptanoyl)oxy]-4-(trimethylazaniumyl)butanoic acid

C14H27NO5 (289.1889132)


3-hydroxyheptanoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxyheptanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-hydroxyheptanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxyheptanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

   

5-Hydroxyheptanoylcarnitine

3-[(5-hydroxyheptanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C14H27NO5 (289.1889132)


5-hydroxyheptanoylcarnitine is an acylcarnitine. More specifically, it is an 5-hydroxyheptanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 5-hydroxyheptanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-hydroxyheptanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

   

4-Hydroxyheptanoylcarnitine

3-[(4-hydroxyheptanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C14H27NO5 (289.1889132)


4-hydroxyheptanoylcarnitine is an acylcarnitine. More specifically, it is an 4-hydroxyheptanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 4-hydroxyheptanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 4-hydroxyheptanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

   

6-Hydroxyheptanoylcarnitine

3-[(6-Hydroxyheptanoyl)oxy]-4-(trimethylazaniumyl)butanoic acid

C14H27NO5 (289.1889132)


6-hydroxyheptanoylcarnitine is an acylcarnitine. More specifically, it is an 6-hydroxyheptanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 6-hydroxyheptanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-hydroxyheptanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

   

4-Ethoxy-4-oxobutanoylcarnitine

3-[(4-ethoxy-4-oxobutanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C13H23NO6 (289.1525298)


4-Ethoxy-4-oxobutanoylcarnitine is an acylcarnitine. More specifically, it is an 4-ethoxy-4-oxobutanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 4-Ethoxy-4-oxobutanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 4-Ethoxy-4-oxobutanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

   

(+)-Hyoscyamine

8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate

C17H23NO3 (289.1677848)


Atropine, a naturally occurring belladonna alkaloid, is a racemic mixture of equal parts of d- and l-hyoscyamine, whose activity is due almost entirely to the levo isomer of the drug. Atropine is commonly classified as an anticholinergic or antiparasympathetic (parasympatholytic) drug. More precisely, however, it is termed an antimuscarinic agent since it antagonizes the muscarine-like actions of acetylcholine and other choline esters. Adequate doses of atropine abolish various types of reflex vagal cardiac slowing or asystole. The drug also prevents or abolishes bradycardia or asystole produced by injection of choline esters, anticholinesterase agents or other parasympathomimetic drugs, and cardiac arrest produced by stimulation of the vagus. Atropine may also lessen the degree of partial heart block when vagal activity is an etiologic factor. Atropine in clinical doses counteracts the peripheral dilatation and abrupt decrease in blood pressure produced by choline esters. However, when given by itself, atropine does not exert a striking or uniform effect on blood vessels or blood pressure. Atropine is found in burdock. Atropine (Tropine tropate) is a competitive muscarinic acetylcholine receptor (mAChR) antagonist with IC50 values of 0.39 and 0.71 nM for Human mAChR M4 and Chicken mAChR M4, respectively. Atropine inhibits ACh-induced relaxations in human pulmonary veins. Atropine can be used for research of anti-myopia and bradycardia[1][2][3][4]. Atropine (Tropine tropate) is a competitive muscarinic acetylcholine receptor (mAChR) antagonist with IC50 values of 0.39 and 0.71 nM for Human mAChR M4 and Chicken mAChR M4, respectively. Atropine inhibits ACh-induced relaxations in human pulmonary veins. Atropine can be used for research of anti-myopia and bradycardia[1][2][3][4]. Atropine (Tropine tropate) is a competitive muscarinic acetylcholine receptor (mAChR) antagonist with IC50 values of 0.39 and 0.71 nM for Human mAChR M4 and Chicken mAChR M4, respectively. Atropine inhibits ACh-induced relaxations in human pulmonary veins. Atropine can be used for research of anti-myopia and bradycardia[1][2][3][4].

   

(2R,5S)-3-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid

(2R,5S)-3-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid

C16H19NO4 (289.1314014)


   

Dimethylphysostigmine

1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N,N-dimethylcarbamate

C16H23N3O2 (289.1790178)


   

6,7-Dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine

Aminodimethoxyquinazolinylpiperazine (piperazine derivative OF terazosin)

C14H19N5O2 (289.15386739999997)


   

Aminohexane

2-[(dimethylamino)methyl]-1-ethylcyclohexyl benzoate

C18H27NO2 (289.20416819999997)


   

Caramiphen

2-(Diethylamino)ethyl 1-phenylcyclopentane-1-carboxylic acid

C18H27NO2 (289.20416819999997)


C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent

   

Nor-cocaine

Methyl 3-(benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate, (1R,2R,3S,5S)-

C16H19NO4 (289.1314014)


   

Etazolate

1H-Pyrazolo(3,4-b)pyridine-5-carboxylic acid, 1-ethyl-4-((1-methylethylidene)hydrazino)-, ethyl ester

C14H19N5O2 (289.15386739999997)


   

Methylenedioxypyrrolidinohexiophenone

1-(2H-1,3-benzodioxol-5-yl)-2-(pyrrolidin-1-yl)hexan-1-one

C17H23NO3 (289.1677848)


   

norscopolamine

3-Oxa-9-azatricyclo[3.3.1.0,]nonan-7-yl 3-hydroxy-2-phenylpropanoic acid

C16H19NO4 (289.1314014)


   

Piperidine, 4-(1a,10b-dihydro-6H-dibenzo(3,4:6,7)cyclohept(1,2-b)oxiren-6-ylidene)-

4-{3-oxatetracyclo[10.4.0.0^{2,4}.0^{5,10}]hexadeca-1(16),5,7,9,12,14-hexaen-11-ylidene}piperidine

C20H19NO (289.14665640000004)


   

trimethylamino-diphenylhexatriene

3,4,5-trimethyl-1,1-diphenylhexa-1,3,5-trien-2-amine

C21H23N (289.1830398)


   

trimethylaminodiphenylhexatriene

2,3,6-trimethyl-4-(1-phenylhexa-1,3,5-trien-1-yl)aniline

C21H23N (289.1830398)


   

WS-12

N-(4-methoxyphenyl)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide

C18H27NO2 (289.20416819999997)


   

Caryophyllen-beta

3-[(5-Carboxypentanoyl)oxy]-4-(trimethylammonio)butanoic acid

C13H23NO6 (289.1525298)


   

Z7N4S72301

1H-(1,3)DIOXOLO(4,5-J)PYRROLO(3,2,1-DE)PHENANTHRIDINE-1,2-DIOL, 2,3,3A,4,5,7,12B,12C-OCTAHYDRO-, (1S,2S,3AR,12BS,12CR)-

C16H19NO4 (289.1314014)


Dihydrolycorine is a natural product found in Lycoris radiata, Pancratium maritimum, and Galanthus trojanus with data available. Dihydrolycorine, isolated from Lycoris radiate Herb, is an inhibitor of protein synthesis in eukarytic cells by inhibiting the peptide bone formation step[1][2]. Dihydrolycorine, isolated from Lycoris radiate Herb, is an inhibitor of protein synthesis in eukarytic cells by inhibiting the peptide bone formation step[1][2].

   

Cosmoperine

5-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)pentan-1-one

C17H23NO3 (289.1677848)


Tetrahydropiperine is a member of benzodioxoles. Tetrahydropiperine is a natural product found in Piper tuberculatum, Piper swartzianum, and Piper longum with data available. Tetrahydropiperine, a cyclohexyl analogue of piperine, is the first natural aryl pentanamide from Piper longum[1]. Tetrahydropiperine (compound 14) inhibits the cytochrome P450 (CYP) isoform CYP1A1/arylhydrocarbon hydroxylase (AHH; IC50=23 μM)[2]. Tetrahydropiperine, a cyclohexyl analogue of piperine, is the first natural aryl pentanamide from Piper longum[1]. Tetrahydropiperine (compound 14) inhibits the cytochrome P450 (CYP) isoform CYP1A1/arylhydrocarbon hydroxylase (AHH; IC50=23 μM)[2].

   
   

Isopyrodysinoic acid

(+)-Isopyrodysinoic acid

C17H23NO3 (289.1677848)


   

4a-Dehydroxycrinamabine

4a-Dehydroxycrinamabine

C16H19NO4 (289.1314014)


   
   

4-methoxy-1-methyl-8-(2-oxo-3-methylbutoxy)-2-quinolone

4-methoxy-1-methyl-8-(2-oxo-3-methylbutoxy)-2-quinolone

C16H19NO4 (289.1314014)


   

Pyrodysinoic acid

(+)-Pyrodysinoic acid

C17H23NO3 (289.1677848)


   
   

3-Demethoxypiplartine

3-Demethoxypiplartine

C16H19NO4 (289.1314014)


   
   

Pyrodysinoic acid B

Pyrodysinoic acid B

C17H23NO3 (289.1677848)


   
   
   

Maybridge3_002231

Maybridge3_002231

C19H19N3 (289.1578894)


   

Methylenedioxypyrrolidinohexiophenone

Methylenedioxypyrrolidinohexiophenone

C17H23NO3 (289.1677848)


   
   

ANABASAMINE HYDROCHLORIDE

ANABASAMINE HYDROCHLORIDE

C16H20ClN3 (289.134567)


   
   

2-PIPERAZINE - 4- AMINO - 6,7 DIMETHOXYQUINAZOLINE

4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline

C14H19N5O2 (289.15386739999997)


CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 62

   
   
   

2-Methoxy-4,5-methylendioxyzimtsaeure-piperidid|2-methoxy-4,5-methylenedioxy-trans-cinnamoyl piperidide

2-Methoxy-4,5-methylendioxyzimtsaeure-piperidid|2-methoxy-4,5-methylenedioxy-trans-cinnamoyl piperidide

C16H19NO4 (289.1314014)


   
   

1-Methyl-4-hydroxy-7-methoxy-3-(2,3-epoxy-3-methylbutane-1-yl)-1H-quinoline-2-one

1-Methyl-4-hydroxy-7-methoxy-3-(2,3-epoxy-3-methylbutane-1-yl)-1H-quinoline-2-one

C16H19NO4 (289.1314014)


   

1-[1-Oxo-3(3,4-methylenedioxy-5-methoxyphenyl)-2Zpropenyl] piperidine|1-[1-oxo-3-(3,4-methylenedioxy-5-methoxyphenyl)-2Z-propenyl]piperidine

1-[1-Oxo-3(3,4-methylenedioxy-5-methoxyphenyl)-2Zpropenyl] piperidine|1-[1-oxo-3-(3,4-methylenedioxy-5-methoxyphenyl)-2Z-propenyl]piperidine

C16H19NO4 (289.1314014)


   
   
   

11-O-Benzoyl-4-hydroxyepilupinine

11-O-Benzoyl-4-hydroxyepilupinine

C17H23NO3 (289.1677848)


   
   

4,6-Dideoxy-3-C-methyl-4-(methuylamino)mannose,9CI-Me glycoside, N,2-di-Ac

4,6-Dideoxy-3-C-methyl-4-(methuylamino)mannose,9CI-Me glycoside, N,2-di-Ac

C13H23NO6 (289.1525298)


   
   

ophthalmic acid

L-gamma-Glutamyl-L-alpha-aminobutyrylglycine

C11H19N3O6 (289.1273794)


A L-glutamine derivative that is L-glutamine substituted by a 1-[(carboxymethyl)amino]-1-oxobutan-2-yl at the terminal amino nitrogen atom. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; JCMUOFQHZLPHQP-BQBZGAKWSA-N_STSL_0170_Ophthalmic acid_0500fmol_180425_S2_LC02_MS02_88; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.

   
   
   
   
   
   
   

lycojaponicumin E|palcernine A

lycojaponicumin E|palcernine A

C17H23NO3 (289.1677848)


   

6,8-dimethoxy-7-(3-methylbut-2-enyloxy)quinolin-2-ol|choisyaternatine

6,8-dimethoxy-7-(3-methylbut-2-enyloxy)quinolin-2-ol|choisyaternatine

C16H19NO4 (289.1314014)


   
   
   

(Xi)-1-[(2Xi)-6c-((Xi)-beta-Hydroxy-phenaethyl)-1-methyl-1,2,3,6-tetrahydro-[2r]pyridyl]-butan-2-ol|(Xi)-1-[(2Xi)-6c-((Xi)-beta-hydroxy-phenethyl)-1-methyl-1,2,3,6-tetrahydro-[2r]pyridyl]-butan-2-ol|1-[6-(beta-Hydroxy-phenaethyl)-1-methyl-1,2,3,6-tetrahydro-[2]pyridyl]-butan-2-ol

(Xi)-1-[(2Xi)-6c-((Xi)-beta-Hydroxy-phenaethyl)-1-methyl-1,2,3,6-tetrahydro-[2r]pyridyl]-butan-2-ol|(Xi)-1-[(2Xi)-6c-((Xi)-beta-hydroxy-phenethyl)-1-methyl-1,2,3,6-tetrahydro-[2r]pyridyl]-butan-2-ol|1-[6-(beta-Hydroxy-phenaethyl)-1-methyl-1,2,3,6-tetrahydro-[2]pyridyl]-butan-2-ol

C18H27NO2 (289.20416819999997)


   

3-isopropenyl-7,7-dimethyl-8-(3-methyl-but-2-enoyl)-2,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyrimidin-5-one|Alchornidin|Alchornidine

3-isopropenyl-7,7-dimethyl-8-(3-methyl-but-2-enoyl)-2,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyrimidin-5-one|Alchornidin|Alchornidine

C16H23N3O2 (289.1790178)


   
   

N-5-(4-hydroxy-3-methoxyphenyl)-2E-pentenoyl piperidine

N-5-(4-hydroxy-3-methoxyphenyl)-2E-pentenoyl piperidine

C17H23NO3 (289.1677848)


   
   
   

(+/-)-8-methoxyplatydesmine|(+/-)-O-methylbalfourodinium perchlorate|(??)-8-Methoxyplatydesmine|2,3-Dihydro-2-<1-hydroxy-isopropyl>-4.8-dimethoxy-furano<2,3-b>chinolin|2-(4,8-dimethoxy-2,3-dihydro-furo[2,3-b]quinolin-2-yl)-propan-2-ol

(+/-)-8-methoxyplatydesmine|(+/-)-O-methylbalfourodinium perchlorate|(??)-8-Methoxyplatydesmine|2,3-Dihydro-2-<1-hydroxy-isopropyl>-4.8-dimethoxy-furano<2,3-b>chinolin|2-(4,8-dimethoxy-2,3-dihydro-furo[2,3-b]quinolin-2-yl)-propan-2-ol

C16H19NO4 (289.1314014)


   

(E)-N-(1-naphthylmethyl)-3-(4-hydroxyphenyl)-2-propen-1-amine

(E)-N-(1-naphthylmethyl)-3-(4-hydroxyphenyl)-2-propen-1-amine

C20H19NO (289.14665640000004)


   

(-)-normalindine|(5S-trans)-5,7,8,13,13b,14-hexahydro-5-methylindolo[2,3:3,4]pyrido[1,2-b][2,7]naphthyridine|normalindine

(-)-normalindine|(5S-trans)-5,7,8,13,13b,14-hexahydro-5-methylindolo[2,3:3,4]pyrido[1,2-b][2,7]naphthyridine|normalindine

C19H19N3 (289.1578894)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-2-one

1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-2-one

C16H19NO4 (289.1314014)


   

Lycoramin

6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 4a,5,7,8,9,10,11,12-octahydro-3-methoxy-11-methyl-, (4aS,6S,8aR)-

C17H23NO3 (289.1677848)


Lycoramine is a benzazepine. Lycoramine is a natural product found in Lycoris sanguinea, Hymenocallis rotata, and other organisms with data available. Lycoramine, a dihydro-derivative of galanthamine, is isolated from Lycoris radiate. Lycoramine is a potent acetylcholinesterase (AChE) inhibitor[1][2]. Lycoramine, a dihydro-derivative of galanthamine, is isolated from Lycoris radiate. Lycoramine is a potent acetylcholinesterase (AChE) inhibitor[1][2].

   

N-(2-Hydroxyisobutyl)-2,4,8,10,12-tetradecapentaenamide

2,4,8,10,12-Tetradecapentaenamide, N-(2-hydroxy-2-methylpropyl)-, (2E,4E,8E,10E,12E)-

C18H27NO2 (289.20416819999997)


N-(2-Hydroxyisobutyl)-2,4,8,10,12-tetradecapentaenamide is a fatty amide. (2E,4E,8E,10E,12E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide is a natural product found in Zanthoxylum bungeanum with data available. Hydroxy-gamma-sanshool is found in herbs and spices. Hydroxy-gamma-sanshool is a constituent of Zanthoxylum piperitum (Japanese pepper tree) Constituent of Zanthoxylum subspecies N-(2-Hydroxyisobutyl)-2,4,8,10,12-tetradecapentaenamide is found in herbs and spices.

   

Benzoylecgonine

(3S,4R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid

C16H19NO4 (289.1314014)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 2823

   

Atropine

BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, ENDO-(+/-)-

C17H23NO3 (289.1677848)


Atropine is a racemate composed of equimolar concentrations of (S)- and (R)-atropine. It is obtained from deadly nightshade (Atropa belladonna) and other plants of the family Solanaceae. It has a role as a muscarinic antagonist, an anaesthesia adjuvant, an anti-arrhythmia drug, a mydriatic agent, a parasympatholytic, a bronchodilator agent, a plant metabolite, an antidote to sarin poisoning and a oneirogen. It contains a (S)-atropine and a (R)-atropine. Atropine is an alkaloid originally synthesized from Atropa belladonna. It is a racemic mixture of d-and l-hyoscyamine, of which only l-hyoscyamine is pharmacologically active. Atropine is generally available as a sulfate salt and can be administered by intravenous, subcutaneous, intramuscular, intraosseous, endotracheal and ophthalmic methods. Oral atropine is only available in combination products. Atropine is a competitive, reversible antagonist of muscarinic receptors that blocks the effects of acetylcholine and other choline esters. It has a variety of therapeutic applications, including pupil dilation and the treatment of anticholinergic poisoning and symptomatic bradycardia in the absence of reversible causes. Atropine is a relatively inexpensive drug and is included in the World Health Organization List of Essential Medicines. Atropine is an Anticholinergic and Cholinergic Muscarinic Antagonist. The mechanism of action of atropine is as a Cholinergic Antagonist and Cholinergic Muscarinic Antagonist. Hyoscyamine as a natural plant alkaloid derivative and anticholinergic that is used to treat mild to moderate nausea, motion sickness, hyperactive bladder and allergic rhinitis. Hyoscyamine has not been implicated in causing liver enzyme elevations or clinically apparent acute liver injury. Atropine is a natural product found in Cyphanthera tasmanica, Anthocercis ilicifolia, and other organisms with data available. Atropine Sulfate is the sulfate salt of atropine, a naturally-occurring alkaloid isolated from the plant Atropa belladonna. Atropine functions as a sympathetic, competitive antagonist of muscarinic cholinergic receptors, thereby abolishing the effects of parasympathetic stimulation. This agent may induce tachycardia, inhibit secretions, and relax smooth muscles. (NCI04) Atropine is a synthetically-derived form of the endogenous alkaloid isolated from the plant Atropa belladonna. Atropine functions as a sympathetic, competitive antagonist of muscarinic cholinergic receptors, thereby abolishing the effects of parasympathetic stimulation. This agent may induce tachycardia, inhibit secretions, and relax smooth muscles. (NCI04) Hyoscyamine is a belladonna alkaloid derivative and the levorotatory form of racemic atropine isolated from the plants Hyoscyamus niger or Atropa belladonna, which exhibits anticholinergic activity. Hyoscyamine functions as a non-selective, competitive antagonist of muscarinic receptors, thereby inhibiting the parasympathetic activities of acetylcholine on the salivary, bronchial, and sweat glands, as well as the eye, heart, bladder, and gastrointestinal tract. These inhibitory effects cause a decrease in saliva, bronchial mucus, gastric juices, and sweat. Furthermore, its inhibitory action on smooth muscle prevents bladder contraction and decreases gastrointestinal motility. An alkaloid, originally from Atropa belladonna, but found in other plants, mainly SOLANACEAE. Hyoscyamine is the 3(S)-endo isomer of atropine. A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03B - Belladonna and derivatives, plain > A03BA - Belladonna alkaloids, tertiary amines A racemate composed of equimolar concentrations of (S)- and (R)-atropine . It is obtained from deadly nightshade (Atropa belladonna) and other plants of the family Solanaceae. S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002491 - Central Nervous System Agents Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.421 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.416 Atropine (Tropine tropate) is a competitive muscarinic acetylcholine receptor (mAChR) antagonist with IC50 values of 0.39 and 0.71 nM for Human mAChR M4 and Chicken mAChR M4, respectively. Atropine inhibits ACh-induced relaxations in human pulmonary veins. Atropine can be used for research of anti-myopia and bradycardia[1][2][3][4]. Atropine (Tropine tropate) is a competitive muscarinic acetylcholine receptor (mAChR) antagonist with IC50 values of 0.39 and 0.71 nM for Human mAChR M4 and Chicken mAChR M4, respectively. Atropine inhibits ACh-induced relaxations in human pulmonary veins. Atropine can be used for research of anti-myopia and bradycardia[1][2][3][4]. Atropine (Tropine tropate) is a competitive muscarinic acetylcholine receptor (mAChR) antagonist with IC50 values of 0.39 and 0.71 nM for Human mAChR M4 and Chicken mAChR M4, respectively. Atropine inhibits ACh-induced relaxations in human pulmonary veins. Atropine can be used for research of anti-myopia and bradycardia[1][2][3][4]. L-Hyoscyamine (Daturine), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist. L-Hyoscyamine is a levo-isomer to Atropine (HY-B1205)[1][2]. L-Hyoscyamine (Daturine), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist. L-Hyoscyamine is a levo-isomer to Atropine (HY-B1205)[1][2]. L-Hyoscyamine (Daturine), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist. L-Hyoscyamine is a levo-isomer to Atropine (HY-B1205)[1][2].

   

L-Hyoscyamine

Hyoscyamine (Daturine)

C17H23NO3 (289.1677848)


A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03B - Belladonna and derivatives, plain > A03BA - Belladonna alkaloids, tertiary amines D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002491 - Central Nervous System Agents L-Hyoscyamine (Daturine), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist. L-Hyoscyamine is a levo-isomer to Atropine (HY-B1205)[1][2]. L-Hyoscyamine (Daturine), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist. L-Hyoscyamine is a levo-isomer to Atropine (HY-B1205)[1][2]. L-Hyoscyamine (Daturine), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist. L-Hyoscyamine is a levo-isomer to Atropine (HY-B1205)[1][2].

   

Tropan-3-yl-carboxylic acid (2-hydroxy-1-phenyl)-ethyl ester

NCGC00160291-01!Tropan-3-yl-carboxylic acid (2-hydroxy-1-phenyl)-ethyl ester

C17H23NO3 (289.1677848)


   
   

Hyoscyamine

BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, (3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, (.ALPHA.S)-

C17H23NO3 (289.1677848)


(S)-atropine is an atropine with a 2S-configuration. It is functionally related to a (S)-tropic acid. It is a conjugate base of a (S)-atropinium. Hyoscyamine is a tropane alkaloid and the levo-isomer of [atropine]. It is commonly extracted from plants in the Solanaceae or nightshade family. Research into the action of hyoscyamine in published literature dates back to 1826. Hyoscyamine is used for a wide variety of treatments and therapeutics due to its antimuscarinic properties. Although hyoscyamine is marketed in the United States, it is not FDA approved. Hyoscyamine as a natural plant alkaloid derivative and anticholinergic that is used to treat mild to moderate nausea, motion sickness, hyperactive bladder and allergic rhinitis. Hyoscyamine has not been implicated in causing liver enzyme elevations or clinically apparent acute liver injury. L-Hyoscyamine is a natural product found in Datura ferox, Crenidium spinescens, and other organisms with data available. Hyoscyamine is a belladonna alkaloid derivative and the levorotatory form of racemic atropine isolated from the plants Hyoscyamus niger or Atropa belladonna, which exhibits anticholinergic activity. Hyoscyamine functions as a non-selective, competitive antagonist of muscarinic receptors, thereby inhibiting the parasympathetic activities of acetylcholine on the salivary, bronchial, and sweat glands, as well as the eye, heart, bladder, and gastrointestinal tract. These inhibitory effects cause a decrease in saliva, bronchial mucus, gastric juices, and sweat. Furthermore, its inhibitory action on smooth muscle prevents bladder contraction and decreases gastrointestinal motility. The 3(S)-endo isomer of atropine. A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03B - Belladonna and derivatives, plain > A03BA - Belladonna alkaloids, tertiary amines C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002491 - Central Nervous System Agents An atropine with a 2S-configuration. Annotation level-1 L-Hyoscyamine (Daturine), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist. L-Hyoscyamine is a levo-isomer to Atropine (HY-B1205)[1][2]. L-Hyoscyamine (Daturine), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist. L-Hyoscyamine is a levo-isomer to Atropine (HY-B1205)[1][2]. L-Hyoscyamine (Daturine), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist. L-Hyoscyamine is a levo-isomer to Atropine (HY-B1205)[1][2].

   

(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate

(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate

C17H23NO3 (289.1677848)


   
   
   

clofedanol

Chlophedianol

C17H20ClNO (289.12333400000006)


R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent

   

Dihydrolycorine

Dihydrolycorine

C16H19NO4 (289.1314014)


Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Amaryllidaceae alkaloids, Lycorine alkaloids Dihydrolycorine, isolated from Lycoris radiate Herb, is an inhibitor of protein synthesis in eukarytic cells by inhibiting the peptide bone formation step[1][2]. Dihydrolycorine, isolated from Lycoris radiate Herb, is an inhibitor of protein synthesis in eukarytic cells by inhibiting the peptide bone formation step[1][2].

   

Adipoyl-carnitine; AIF; CE0; CorrDec

Adipoyl-carnitine; AIF; CE0; CorrDec

C13H23NO6 (289.1525298)


   

Adipoyl-carnitine; AIF; CE10; CorrDec

Adipoyl-carnitine; AIF; CE10; CorrDec

C13H23NO6 (289.1525298)


   

Adipoyl-carnitine; AIF; CE30; CorrDec

Adipoyl-carnitine; AIF; CE30; CorrDec

C13H23NO6 (289.1525298)


   

Adipoyl-carnitine; AIF; CE0; MS2Dec

Adipoyl-carnitine; AIF; CE0; MS2Dec

C13H23NO6 (289.1525298)


   

Adipoyl-carnitine; AIF; CE10; MS2Dec

Adipoyl-carnitine; AIF; CE10; MS2Dec

C13H23NO6 (289.1525298)


   

Adipoyl-carnitine; AIF; CE30; MS2Dec

Adipoyl-carnitine; AIF; CE30; MS2Dec

C13H23NO6 (289.1525298)


   

Ophthalmic acid; AIF; CE0; CorrDec

Ophthalmic acid; AIF; CE0; CorrDec

C11H19N3O6 (289.1273794)


   

Ophthalmic acid; AIF; CE10; CorrDec

Ophthalmic acid; AIF; CE10; CorrDec

C11H19N3O6 (289.1273794)


   

Ophthalmic acid; AIF; CE30; CorrDec

Ophthalmic acid; AIF; CE30; CorrDec

C11H19N3O6 (289.1273794)


   

Ophthalmic acid; AIF; CE0; MS2Dec

Ophthalmic acid; AIF; CE0; MS2Dec

C11H19N3O6 (289.1273794)


   

Ophthalmic acid; AIF; CE10; MS2Dec

Ophthalmic acid; AIF; CE10; MS2Dec

C11H19N3O6 (289.1273794)


   

Ophthalmic acid; AIF; CE30; MS2Dec

Ophthalmic acid; AIF; CE30; MS2Dec

C11H19N3O6 (289.1273794)


   

Adipoyl-carnitine; LC-tDDA; CE10

Adipoyl-carnitine; LC-tDDA; CE10

C13H23NO6 (289.1525298)


   

Adipoyl-carnitine; LC-tDDA; CE20

Adipoyl-carnitine; LC-tDDA; CE20

C13H23NO6 (289.1525298)


   

Adipoyl-carnitine; LC-tDDA; CE30

Adipoyl-carnitine; LC-tDDA; CE30

C13H23NO6 (289.1525298)


   

Adipoyl-carnitine; LC-tDDA; CE40

Adipoyl-carnitine; LC-tDDA; CE40

C13H23NO6 (289.1525298)


   

Ophthalmic acid; LC-tDDA; CE10

Ophthalmic acid; LC-tDDA; CE10

C11H19N3O6 (289.1273794)


   

Ophthalmic acid; LC-tDDA; CE20

Ophthalmic acid; LC-tDDA; CE20

C11H19N3O6 (289.1273794)


   

Ophthalmic acid; LC-tDDA; CE30

Ophthalmic acid; LC-tDDA; CE30

C11H19N3O6 (289.1273794)


   

Ophthalmic acid; LC-tDDA; CE40

Ophthalmic acid; LC-tDDA; CE40

C11H19N3O6 (289.1273794)


   
   

7,8-Dihydro-14-hydroxynormorphine

7,8-Dihydro-14-hydroxynormorphine

C16H19NO4 (289.1314014)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

3-Methylglutarylcarnitine

3-Methylglutarylcarnitine

C13H23NO6 (289.1525298)


   

Clofedano

1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol

C17H20ClNO (289.12333400000006)


R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent

   

Chloropyramine

N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyridin-2-amine

C16H20ClN3 (289.134567)


D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AC - Substituted ethylene diamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist

   

Arg-Asp

2-(2-amino-3-carboxypropanamido)-5-carbamimidamidopentanoic acid

C10H19N5O5 (289.1386124)


A dipeptide formed from L-arginyl and L-aspartic acid residues.

   

Asp-arg

2-(2-amino-5-carbamimidamidopentanamido)butanedioic acid

C10H19N5O5 (289.1386124)


A dipeptide composed of L-aspartic acid and L-arginine joined by a peptide linkage.

   

Hydroxy-g-isosanshool

(2E,4E,8E,10E,12E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide

C18H27NO2 (289.20416819999997)


   

Triisobutyldihydrodithiazine

1,3,5-Dithiazine, perhydro-2,4-dimethyl-6-(1-methylethyl)

C15H31NS2 (289.1897806)


   

Dihydroferuperine

(2E,4Z)-5-(4-hydroxy-5-methoxycyclohexa-1,5-dien-1-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one

C17H23NO3 (289.1677848)


   

2,3-Methylenedioxy Pyrovalerone

2,3-Methylenedioxy Pyrovalerone

C17H23NO3 (289.1677848)


   

CAR 6:1;O2

3-[(5-carboxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C13H23NO6 (289.1525298)


   

NA 18:5;O

2-hydroxy-N-(isobutyl)-tetradeca-2E,4E,8Z,10E,12E-pentaenamide

C18H27NO2 (289.20416819999997)


   

tert-butyl 3-benzyl-4-oxopiperidine-1-carboxylate

tert-butyl 3-benzyl-4-oxopiperidine-1-carboxylate

C17H23NO3 (289.1677848)


   

Pyrimido[1,2-a]benzimidazol-4-ol, 2-methyl-3-(phenylmethyl)- (9CI)

Pyrimido[1,2-a]benzimidazol-4-ol, 2-methyl-3-(phenylmethyl)- (9CI)

C18H15N3O (289.121506)


   

1-Phenoxy-5,5-dimethyl-3-(1H-1,2,4-triazol-1-yl)-4-hexanol

1-Phenoxy-5,5-dimethyl-3-(1H-1,2,4-triazol-1-yl)-4-hexanol

C16H23N3O2 (289.1790178)


   

Pyrido[2,3-b][1,6]naphthyridine, 6,7,8,9-tetrahydro-7-(2-phenylethyl)- (9CI)

Pyrido[2,3-b][1,6]naphthyridine, 6,7,8,9-tetrahydro-7-(2-phenylethyl)- (9CI)

C19H19N3 (289.1578894)


   

(3-(diphenylamino)phenyl)boronic acid

(3-(diphenylamino)phenyl)boronic acid

C18H16BNO2 (289.1274026)


   

2-amino-4-trifluoropyrimidine-5-boronic acid pinacol ester

2-amino-4-trifluoropyrimidine-5-boronic acid pinacol ester

C11H15BF3N3O2 (289.1209356)


   

1-BOC-2-TRIMETHYLSILANYL-INDOLE

1-BOC-2-TRIMETHYLSILANYL-INDOLE

C16H23NO2Si (289.1497978)


   

(4-cyano-3-fluorophenyl) 4-propylcyclohexane-1-carboxylate

(4-cyano-3-fluorophenyl) 4-propylcyclohexane-1-carboxylate

C17H20FNO2 (289.1477992)


   
   

1-[4-(2-HYDROXY-ETHYL)-PIPERAZIN-1-YLMETHYL]-1H-INDOLE-2,3-DIONE

1-[4-(2-HYDROXY-ETHYL)-PIPERAZIN-1-YLMETHYL]-1H-INDOLE-2,3-DIONE

C15H19N3O3 (289.1426344)


   

N,N-BIS(T-BUTYL-4-CARBOXYMETHYL)AMINOETHANOL

N,N-BIS(T-BUTYL-4-CARBOXYMETHYL)AMINOETHANOL

C14H27NO5 (289.1889132)


   
   

dimethyl-[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]silicon

dimethyl-[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]silicon

C16H23NO2Si (289.1497978)


   
   

METHYL 4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-(N-METHYLMETHANESULFONAMIDO)]PYRIMIDINE-5-CARBOXYLATE

METHYL 4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-(N-METHYLMETHANESULFONAMIDO)]PYRIMIDINE-5-CARBOXYLATE

C15H16FN3O2 (289.1226488)


   

Acetamide,N-[3-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]-

Acetamide,N-[3-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]-

C15H19N3O3 (289.1426344)


   

Butaverine

Butaverine

C18H27NO2 (289.20416819999997)


C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent

   
   

2-AMINO-4-(3-(BENZYLOXY)PHENYL)-1H-PYRROLE-3-CARBONITRILE

2-AMINO-4-(3-(BENZYLOXY)PHENYL)-1H-PYRROLE-3-CARBONITRILE

C18H15N3O (289.121506)


   

4-Methoxy-N-(4-methylphenyl)-N-phenylaniline

4-Methoxy-N-(4-methylphenyl)-N-phenylaniline

C20H19NO (289.14665640000004)


   

BENZYL 4-(PYRROLIDIN-3-YL)PIPERAZINE-1-CARBOXYLATE

BENZYL 4-(PYRROLIDIN-3-YL)PIPERAZINE-1-CARBOXYLATE

C16H23N3O2 (289.1790178)


   

1-λ1-oxidanyl-2,2,5,5-tetramethyl-N-(1,3,4-trihydroxybutan-2-yl)pyrrolidine-3-carboxamide

1-λ1-oxidanyl-2,2,5,5-tetramethyl-N-(1,3,4-trihydroxybutan-2-yl)pyrrolidine-3-carboxamide

C13H25N2O5 (289.176338)


   

2-METHYL-N-(1R-NAPHTHALEN-2-YL-ETHYL)-BENZAMIDE

2-METHYL-N-(1R-NAPHTHALEN-2-YL-ETHYL)-BENZAMIDE

C20H19NO (289.14665640000004)


   

2-METHYL-N-(1R-NAPHTHALEN-1-YL-ETHYL)-BENZAMIDE

2-METHYL-N-(1R-NAPHTHALEN-1-YL-ETHYL)-BENZAMIDE

C20H19NO (289.14665640000004)


   

Bis(4-fluorophenyl)[(2S)-2-pyrrolidinyl]methanol

Bis(4-fluorophenyl)[(2S)-2-pyrrolidinyl]methanol

C17H17F2NO (289.1278136)


   

Tris(4-aminophenyl)methane

Tris(4-aminophenyl)methane

C19H19N3 (289.1578894)


   
   

(4-BENZOYLBENZYL)TRIMETHYLAMMONIUM CHLORIDE

(4-BENZOYLBENZYL)TRIMETHYLAMMONIUM CHLORIDE

C17H20ClNO (289.12333400000006)


   
   

[4-(Diphenylamino)phenyl]boronic acid

[4-(Diphenylamino)phenyl]boronic acid

C18H16BNO2 (289.1274026)


   

4-Morpholinophenylboronic Acid Pinacol Ester

4-Morpholinophenylboronic Acid Pinacol Ester

C16H24BNO3 (289.1849144)


   
   

1H-Indole,1-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-(9CI)

1H-Indole,1-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-(9CI)

C18H15N3O (289.121506)


   
   

1-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)PIPERAZINE

1-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)PIPERAZINE

C15H24BN3O2 (289.1961474)


   

3-(1-oxo-4-p-tolylphthalazin-2(1h)-yl)propanenitrile

3-(1-oxo-4-p-tolylphthalazin-2(1h)-yl)propanenitrile

C18H15N3O (289.121506)


   

[2-(3,4-dimethoxy-phenyl)-ethyl]-(2-fluoro-benzyl)-amine

[2-(3,4-dimethoxy-phenyl)-ethyl]-(2-fluoro-benzyl)-amine

C17H20FNO2 (289.1477992)


   

(1-methylpiperidin-4-yl) 3-methyl-2-phenylpentanoate

(1-methylpiperidin-4-yl) 3-methyl-2-phenylpentanoate

C18H27NO2 (289.20416819999997)


   

1,8-Dihydroxy-2,8-dithiocyclotetradecane

1,8-Dihydroxy-2,8-dithiocyclotetradecane

C14H25O2S2 (289.129589)


   

1-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)PIPERAZINE

1-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)PIPERAZINE

C15H24BN3O2 (289.1961474)


   

ethyl N-(ethoxycarbonyl)-N-(3-ethoxy-3-oxopropyl)-beta-alaninate

ethyl N-(ethoxycarbonyl)-N-(3-ethoxy-3-oxopropyl)-beta-alaninate

C13H23NO6 (289.1525298)


   

Bindschedlers green

Bindschedlers green

C16H20ClN3 (289.134567)


   

tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]carbamate

tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]carbamate

C14H31NO3Si (289.2073096)


   

decanal / methyl anthranilate schiffs base

decanal / methyl anthranilate schiffs base

C18H27NO2 (289.20416819999997)


   

4-CYCLOHEXYL-5-(2-METHOXY-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL

4-CYCLOHEXYL-5-(2-METHOXY-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL

C15H19N3OS (289.1248764)


   

phenyl-(4-phenylmethoxyphenyl)methanamine

phenyl-(4-phenylmethoxyphenyl)methanamine

C20H19NO (289.14665640000004)


   

Benzyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate

Benzyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate

C16H19NO4 (289.1314014)


   
   

4-((4-((TRIMETHYLSILYL)ETHYNYL)PHENYL)ETHYNYL)ANILINE

4-((4-((TRIMETHYLSILYL)ETHYNYL)PHENYL)ETHYNYL)ANILINE

C19H19NSi (289.1286694)


   

boc-d-2-aminosuberic acid

boc-d-2-aminosuberic acid

C13H23NO6 (289.1525298)


   

N-CYCLOPENTYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-AMINE

N-CYCLOPENTYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-AMINE

C15H24BN3O2 (289.1961474)


   

1H-Pyrrolo[2,3-b]pyridin-5-amine, 1-[tris(1-methylethyl)silyl]-

1H-Pyrrolo[2,3-b]pyridin-5-amine, 1-[tris(1-methylethyl)silyl]-

C16H27N3Si (289.19741419999997)


   

N,N-dimethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide

N,N-dimethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide

C16H24BNO3 (289.1849144)


   

N-ethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide

N-ethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide

C16H24BNO3 (289.1849144)


   

2-piperizinylpyridine-4-boronic acid, pinacol ester

2-piperizinylpyridine-4-boronic acid, pinacol ester

C15H24BN3O2 (289.1961474)


   

N-Acetyl-3-(4-(p-methoxyphenyl)piperazinyl)azetidine

N-Acetyl-3-(4-(p-methoxyphenyl)piperazinyl)azetidine

C16H23N3O2 (289.1790178)


   
   
   

(S)-4-BENZYL-3-HEPTANOYLOXAZOLIDIN-2-ONE

(S)-4-BENZYL-3-HEPTANOYLOXAZOLIDIN-2-ONE

C17H23NO3 (289.1677848)


   

tert-butyl 4-benzoylpiperidine-1-carboxylate

tert-butyl 4-benzoylpiperidine-1-carboxylate

C17H23NO3 (289.1677848)


   

Tributylphosphonium tetrafluoroborate

Tributylphosphonium tetrafluoroborate

C12H27BF4P (289.187945)


   

2-methylpiperidine; 2-methylpiperidine-1-carbodithioic acid

2-methylpiperidine; 2-methylpiperidine-1-carbodithioic acid

C13H27N3S2 (289.1646302)


   
   

2-(CYCLOPENTYLOXY)-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE

2-(CYCLOPENTYLOXY)-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE

C16H24BNO3 (289.1849144)


   

2-tert-Butyl 4-methyl isoquinoline-2,4(1H)-dicarboxylate

2-tert-Butyl 4-methyl isoquinoline-2,4(1H)-dicarboxylate

C16H19NO4 (289.1314014)


   

(6-Benzyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)methanamine hydrochloride

(6-Benzyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)methanamine hydrochloride

C16H20ClN3 (289.134567)


   

Benzyl 2-oxo-1-oxa-6-azaspiro[4.5]decane-6-carboxylate

Benzyl 2-oxo-1-oxa-6-azaspiro[4.5]decane-6-carboxylate

C16H19NO4 (289.1314014)


   

(R)-2-amino-1,1,2-triphenylethanol

(R)-2-amino-1,1,2-triphenylethanol

C20H19NO (289.14665640000004)


   

N,N,4-trimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

N,N,4-trimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C16H24BNO3 (289.1849144)


   
   

Rotraxate

Rotraxate

C17H23NO3 (289.1677848)


C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent

   

(2S)-2-Amino-1,1,2-triphenylethanol

(2S)-2-Amino-1,1,2-triphenylethanol

C20H19NO (289.14665640000004)


   
   

tert-Butyl 2-benzyl-4-oxopiperidine-1-carboxylate

tert-Butyl 2-benzyl-4-oxopiperidine-1-carboxylate

C17H23NO3 (289.1677848)


   

2-(CYCLOPENTYLOXY)-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE

2-(CYCLOPENTYLOXY)-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE

C16H24BNO3 (289.1849144)


   

3-(azepan-1-yl)-1-(4-propoxyphenyl)propan-1-one

3-(azepan-1-yl)-1-(4-propoxyphenyl)propan-1-one

C18H27NO2 (289.20416819999997)


   

2-(piperidin-1-yl)pyrimidine-5-boronic acid pinacol ester

2-(piperidin-1-yl)pyrimidine-5-boronic acid pinacol ester

C15H24BN3O2 (289.1961474)


   

3-oxododecanoic acid glyceride

3-oxododecanoic acid glyceride

C15H29O5- (289.2014884)


   

Boc-L-aspartic acid 4-tert-butylester

Boc-L-aspartic acid 4-tert-butylester

C13H23NO6 (289.1525298)


   

ETHYL4-(4,4-DIMETHYL-2,6-DIOXOPIPERIDIN-1-YL)BENZOATE

ETHYL4-(4,4-DIMETHYL-2,6-DIOXOPIPERIDIN-1-YL)BENZOATE

C16H19NO4 (289.1314014)


   

IMAZETHAPYR

IMAZETHAPYR

C15H19N3O3 (289.1426344)


D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

   

ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate

ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate

C16H19NO4 (289.1314014)


   

3-Oxa-9-azatricyclo[3.3.1.02,4]non-7-yl tropate

[(1S,2S,4R,5R)-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate

C16H19NO4 (289.1314014)


   

dibenzyl n,n-dimethylphosphoramidite

dibenzyl n,n-dimethylphosphoramidite

C16H20NO2P (289.12315900000004)


   

3-(4-CYANOPHENYL)-1-(4-ISOBUTYLPHENYL)PROP-2-EN-1-ONE

3-(4-CYANOPHENYL)-1-(4-ISOBUTYLPHENYL)PROP-2-EN-1-ONE

C20H19NO (289.14665640000004)


   

3-morpholinophenylboronic acid pinacol ester

3-morpholinophenylboronic acid pinacol ester

C16H24BNO3 (289.1849144)


   

2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]azanium

2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]azanium

C17H20FNO2 (289.1477992)


   
   

2-(3,5-Dimethylphenyl)-5-Isobutylquinoline

2-(3,5-Dimethylphenyl)-5-Isobutylquinoline

C21H23N (289.1830398)


   

5-Methoxy-7-Methyl-t-Boc-1H-indole-4-carbaldehyde

5-Methoxy-7-Methyl-t-Boc-1H-indole-4-carbaldehyde

C16H19NO4 (289.1314014)


   

(TETRAMETHYLPIPERIDINYL)OXYPROPYLMETHYLSILOXANE-DIMETHYLSILOXANE COPOLYMER, TRIMETHYLSILOXY TERMINATED

(TETRAMETHYLPIPERIDINYL)OXYPROPYLMETHYLSILOXANE-DIMETHYLSILOXANE COPOLYMER, TRIMETHYLSILOXY TERMINATED

C13H31NO2Si2 (289.18932259999997)


   

2-(diphenylamino)phenylboronic acid

2-(diphenylamino)phenylboronic acid

C18H16BNO2 (289.1274026)


   

N,N-Dimethyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide

N,N-Dimethyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide

C16H24BNO3 (289.1849144)


   

6-[(benzyloxy)carbonyl]-6-azaspiro[2.5]octane-1-carboxylic acid

6-[(benzyloxy)carbonyl]-6-azaspiro[2.5]octane-1-carboxylic acid

C16H19NO4 (289.1314014)


   

2-METHYL-N-(1S-NAPHTHALEN-2-YL-ETHYL)-BENZAMIDE

2-METHYL-N-(1S-NAPHTHALEN-2-YL-ETHYL)-BENZAMIDE

C20H19NO (289.14665640000004)


   

4-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one

4-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one

C15H20BNO4 (289.14853100000005)


   

2-(5-Methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetonitrile

2-(5-Methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetonitrile

C15H20BNO4 (289.14853100000005)


   

2-N-Boc-Amino-3-(4-tetrahydrothiopyranyl)propionic acid

2-N-Boc-Amino-3-(4-tetrahydrothiopyranyl)propionic acid

C13H23NO4S (289.1347718)


   

(1-PIPERIDIN-4-YL-AZETIDIN-3-YL)-CARBAMIC ACID BENZYL ESTER

(1-PIPERIDIN-4-YL-AZETIDIN-3-YL)-CARBAMIC ACID BENZYL ESTER

C16H23N3O2 (289.1790178)


   

4-(5,5-dimethyl-1,3-dioxan-2-yl)piperidine oxalate

4-(5,5-dimethyl-1,3-dioxan-2-yl)piperidine oxalate

C13H23NO6 (289.1525298)


   

Morpholine,4,4,4-phosphinidynetris-

Morpholine,4,4,4-phosphinidynetris-

C12H24N3O3P (289.1555204)


   

etazolate

etazolate

C14H19N5O2 (289.15386739999997)


D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent

   

(1-PIPERIDIN-3-YL-AZETIDIN-3-YL)-CARBAMIC ACID BENZYL ESTER

(1-PIPERIDIN-3-YL-AZETIDIN-3-YL)-CARBAMIC ACID BENZYL ESTER

C16H23N3O2 (289.1790178)


   

benzyl N-[(1-pyrrolidin-3-ylazetidin-3-yl)methyl]carbamate

benzyl N-[(1-pyrrolidin-3-ylazetidin-3-yl)methyl]carbamate

C16H23N3O2 (289.1790178)


   

1-(diphenylmethyl)-3-methylazetidin-3-ol hydrochloride

1-(diphenylmethyl)-3-methylazetidin-3-ol hydrochloride

C17H20ClNO (289.12333400000006)


   

(2S,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid

(2S,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid

C16H19NO4 (289.1314014)


   
   

4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

C15H19N3OS (289.1248764)


   

2-Amino-4-phenyl-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrile

2-Amino-4-phenyl-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrile

C17H15N5 (289.132739)


   

4,6-Dimethyl-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-pyridinecarbonitrile

4,6-Dimethyl-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-pyridinecarbonitrile

C15H19N3OS (289.1248764)


   
   

(R)-3,4,5,6-Tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrochloride

(R)-3,4,5,6-Tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrochloride

C17H20ClNO (289.12333400000006)


   

L-Glutamic acid, L-alanyl-L-alanyl-

L-Glutamic acid, L-alanyl-L-alanyl-

C11H19N3O6 (289.1273794)


   

4-(7-Methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine

4-(7-Methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine

C15H19N3OS (289.1248764)


   

(S)-3,4,5,6-Tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrochloride

(S)-3,4,5,6-Tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrochloride

C17H20ClNO (289.12333400000006)


   

L-Alanine, L-leucyl-L-seryl-

L-Alanine, L-leucyl-L-seryl-

C12H23N3O5 (289.1637628)


   

6-(N-Phenylcarbamyl)-2-naphthalenecarboxamidine

6-(N-Phenylcarbamyl)-2-naphthalenecarboxamidine

C18H15N3O (289.121506)


   

6-(Cyclohexylmethoxy)-8-isopropyl-9H-purin-2-amine

6-(Cyclohexylmethoxy)-8-isopropyl-9H-purin-2-amine

C15H23N5O (289.1902508)


   

Naphthyridine inhibitor

Naphthyridine inhibitor

C17H15N5 (289.132739)


   

7-(2,5-Dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine

7-(2,5-Dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine

C17H15N5 (289.132739)


   
   

4-Piperidin-1-YL-2-pyridin-2-YL-quinoline

4-Piperidin-1-YL-2-pyridin-2-YL-quinoline

C19H19N3 (289.1578894)


   

3-(3,4,5-Timethoxyphenyl)propanoylpyrrole

3-(3,4,5-Timethoxyphenyl)propanoylpyrrole

C16H19NO4 (289.1314014)


A natural product found in Piper boehmeriaefolium.

   

(3R)-3-[(5-carboxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate

(3R)-3-[(5-carboxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C13H23NO6 (289.1525298)


   
   

(2S)-2-{[(3S)-3-azaniumyl-3-carboxylatopropanoyl]amino}-5-{[azaniumyl(imino)methyl]amino}pentanoate

(2S)-2-{[(3S)-3-azaniumyl-3-carboxylatopropanoyl]amino}-5-{[azaniumyl(imino)methyl]amino}pentanoate

C10H19N5O5 (289.1386124)


   
   

(1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate

(1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate

C16H19NO4 (289.1314014)


   

6-hydroxy-IAA-valine

6-hydroxy-IAA-valine

C15H17N2O4- (289.1188262)


D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids

   
   
   

N-[(2S,5S)-5-(aminomethyl)-5-hydroxy-6-oxopiperidine-2-carbonyl]-L-threonine

N-[(2S,5S)-5-(aminomethyl)-5-hydroxy-6-oxopiperidine-2-carbonyl]-L-threonine

C11H19N3O6 (289.1273794)


   

(1S,14S,15S,16S)-4-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraene-5,14,15-triol

(1S,14S,15S,16S)-4-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraene-5,14,15-triol

C16H19NO4 (289.1314014)


   

N-(1-Oxoindan-4-ylcarbonyl)isoleucine

N-(1-Oxoindan-4-ylcarbonyl)isoleucine

C16H19NO4 (289.1314014)


   

Methylglutaryl-L-carnitine

Methylglutaryl-L-carnitine

C13H23NO6 (289.1525298)


   

trimethylaminodiphenylhexatriene

trimethylaminodiphenylhexatriene

C21H23N (289.1830398)


   

trimethylamino-diphenylhexatriene

trimethylamino-diphenylhexatriene

C21H23N (289.1830398)


   

5-Hydroxyheptanoylcarnitine

5-Hydroxyheptanoylcarnitine

C14H27NO5 (289.1889132)


   

4-Hydroxyheptanoylcarnitine

4-Hydroxyheptanoylcarnitine

C14H27NO5 (289.1889132)


   

6-Hydroxyheptanoylcarnitine

6-Hydroxyheptanoylcarnitine

C14H27NO5 (289.1889132)


   

4-Ethoxy-4-oxobutanoylcarnitine

4-Ethoxy-4-oxobutanoylcarnitine

C13H23NO6 (289.1525298)


   

Pharmakon1600-01500346

Pharmakon1600-01500346

C17H23NO3 (289.1677848)


A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03B - Belladonna and derivatives, plain > A03BA - Belladonna alkaloids, tertiary amines D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002491 - Central Nervous System Agents

   

3-[(4-Carboxy-3-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate

3-[(4-Carboxy-3-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C13H23NO6 (289.1525298)


   

1,2,3,6-Tetrahydropyridine, 1-acetyl-4-[4-acetoxy-5-methoxyphenyl]-

1,2,3,6-Tetrahydropyridine, 1-acetyl-4-[4-acetoxy-5-methoxyphenyl]-

C16H19NO4 (289.1314014)


   

10-ethyl-5,6,7,8-tetrahydrospiro[4a,8-(methanoiminomethano)quinazoline-2,1-cyclohexan]-4(3H)-one

10-ethyl-5,6,7,8-tetrahydrospiro[4a,8-(methanoiminomethano)quinazoline-2,1-cyclohexan]-4(3H)-one

C17H27N3O (289.2154012)


   

(2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid

(2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid

C11H19N3O6 (289.1273794)


   

Leu-Ala-Ser

Leu-Ala-Ser

C12H23N3O5 (289.1637628)


A tripeptide composed of L-leucine, L-alanine and L-serine joined in sequence by peptide linkages.

   
   
   

2-(4-fluoroanilino)-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one

2-(4-fluoroanilino)-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one

C16H20FN3O (289.1590322)


   

N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)pentanamide

N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)pentanamide

C15H19N3OS (289.1248764)


   

3-Methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid (4-methylcyclohexyl) ester

3-Methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid (4-methylcyclohexyl) ester

C17H23NO3 (289.1677848)


   

1-[4-(2-Methylpropoxy)phenyl]-3-(1-piperidinyl)-1-propanone

1-[4-(2-Methylpropoxy)phenyl]-3-(1-piperidinyl)-1-propanone

C18H27NO2 (289.20416819999997)


   

1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-2-one

1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-2-one

C16H19NO4 (289.1314014)


   

(2S)-3-hydroxy-2-phenylpropanoic acid [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester

(2S)-3-hydroxy-2-phenylpropanoic acid [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester

C17H23NO3 (289.1677848)


   

2-[Oxo-(2-phenylethylamino)methyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid

2-[Oxo-(2-phenylethylamino)methyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid

C16H19NO4 (289.1314014)


   

methyl (2E)-2-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}hydrazinecarboxylate

methyl (2E)-2-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}hydrazinecarboxylate

C15H16FN3O2 (289.1226488)


   

(4-Hydroxy-2-oxo-1,2-dihydro-quinolin-3-yl)-acetic acid pentyl ester

(4-Hydroxy-2-oxo-1,2-dihydro-quinolin-3-yl)-acetic acid pentyl ester

C16H19NO4 (289.1314014)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

O-3-methylglutaryl-L-carnitine

O-3-methylglutaryl-L-carnitine

C13H23NO6 (289.1525298)


An O-acyl-L-carnitine that is L-carnitine having a 3-methylglutaryl group as the acyl substituent

   

2-ethyl-N-phenyl-4-benzofuro[3,2-d]pyrimidinamine

2-ethyl-N-phenyl-4-benzofuro[3,2-d]pyrimidinamine

C18H15N3O (289.121506)


   

2,6-Bis(2-furanyl)-4-methyl-3-propyl-4-piperidinol

2,6-Bis(2-furanyl)-4-methyl-3-propyl-4-piperidinol

C17H23NO3 (289.1677848)


   
   

(2S,3S,4S)-4-(hydroxymethyl)-3-[4-[2-(3-pyridinyl)ethynyl]phenyl]-2-azetidinecarbonitrile

(2S,3S,4S)-4-(hydroxymethyl)-3-[4-[2-(3-pyridinyl)ethynyl]phenyl]-2-azetidinecarbonitrile

C18H15N3O (289.121506)


   

(1S,2aS,8bS)-1-(hydroxymethyl)-4-methyl-N-propan-2-yl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide

(1S,2aS,8bS)-1-(hydroxymethyl)-4-methyl-N-propan-2-yl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide

C16H23N3O2 (289.1790178)


   

(2S,3R,4S)-4-(hydroxymethyl)-3-[4-[2-(3-pyridinyl)ethynyl]phenyl]-2-azetidinecarbonitrile

(2S,3R,4S)-4-(hydroxymethyl)-3-[4-[2-(3-pyridinyl)ethynyl]phenyl]-2-azetidinecarbonitrile

C18H15N3O (289.121506)


   

(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-N-propan-2-yl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide

(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-N-propan-2-yl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide

C16H23N3O2 (289.1790178)


   

(1R,2aS,8bS)-1-(hydroxymethyl)-4-methyl-N-propan-2-yl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide

(1R,2aS,8bS)-1-(hydroxymethyl)-4-methyl-N-propan-2-yl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide

C16H23N3O2 (289.1790178)


   

(1R,2aR,8bR)-1-(hydroxymethyl)-4-methyl-N-propan-2-yl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide

(1R,2aR,8bR)-1-(hydroxymethyl)-4-methyl-N-propan-2-yl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide

C16H23N3O2 (289.1790178)


   

6-Aminopenicilloyl-butylamine

6-Aminopenicilloyl-butylamine

C12H23N3O3S (289.1460048)


   

2-methylalanyl-D-tryptophan

2-methylalanyl-D-tryptophan

C15H19N3O3 (289.1426344)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

(Z)-11-methyl-N-(methylsulfonyl)dodec-2-enamide

(Z)-11-methyl-N-(methylsulfonyl)dodec-2-enamide

C14H27NO3S (289.17115520000004)


   

An isonitrile lipopetide

An isonitrile lipopetide

C12H25N4O4+ (289.187571)


   

8-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]octanoate

8-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]octanoate

C14H25O6- (289.16510500000004)


   

2,3,3a,4,5,7,12b,12c-Octahydro-1H,10H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol

2,3,3a,4,5,7,12b,12c-Octahydro-1H,10H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol

C16H19NO4 (289.1314014)


   

3-(2-aminoethyl)-1H-indol-6-ol;2-amino-3-methyl-4H-imidazol-5-one

3-(2-aminoethyl)-1H-indol-6-ol;2-amino-3-methyl-4H-imidazol-5-one

C14H19N5O2 (289.15386739999997)


   

3-(2-aminoethyl)-1H-indol-4-ol;2-amino-3-methyl-4H-imidazol-5-one

3-(2-aminoethyl)-1H-indol-4-ol;2-amino-3-methyl-4H-imidazol-5-one

C14H19N5O2 (289.15386739999997)


   

(7R)-7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyoctanoate

(7R)-7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyoctanoate

C14H25O6- (289.16510500000004)


   

7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptanoate

7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptanoate

C13H21O7- (289.1287216)


   

(6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptanoate

(6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptanoate

C13H21O7- (289.1287216)


   

2-[(1S)-1-ethyl-8-(hydroxymethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid

2-[(1S)-1-ethyl-8-(hydroxymethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid

C16H19NO4 (289.1314014)


   

1-L-glutamo-2-N(6-)L-lysinohydrazine

1-L-glutamo-2-N(6-)L-lysinohydrazine

C11H19N3O6-2 (289.1273794)


   

gamma-Glutamyl-N-(2-aminobutanoyl)glycine

gamma-Glutamyl-N-(2-aminobutanoyl)glycine

C11H19N3O6 (289.1273794)


   

2-(3-(4-N,N-Dimethylaminophenyl)propyl)naphthalene

2-(3-(4-N,N-Dimethylaminophenyl)propyl)naphthalene

C21H23N (289.1830398)


   

(2-hydroxy-1-phenylethyl) (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate

(2-hydroxy-1-phenylethyl) (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate

C17H23NO3 (289.1677848)


   

(6-Methyl-6-azabicyclo[3.1.1]heptan-3-yl)methyl 3-hydroxy-2-phenylpropanoate

(6-Methyl-6-azabicyclo[3.1.1]heptan-3-yl)methyl 3-hydroxy-2-phenylpropanoate

C17H23NO3 (289.1677848)


   

dyclonine

dyclonine

C18H27NO2 (289.20416819999997)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AD - Anesthetics, local D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent

   
   

L-beta-aspartyl-L-arginine

L-beta-aspartyl-L-arginine

C10H19N5O5 (289.1386124)


   

caramiphen

caramiphen

C18H27NO2 (289.20416819999997)


C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent

   

3-hydroxy-2-phenylpropanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester

3-hydroxy-2-phenylpropanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester

C17H23NO3 (289.1677848)


   

5,6-Dimethoxy-2-(piperidin-4-yl)methylene-indan-1-one

5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-one

C17H23NO3 (289.1677848)


   
   

O-adipoylcarnitine

O-adipoylcarnitine

C13H23NO6 (289.1525298)


An O-acylcarnitine compound having adipoyl as the acyl substituent.

   

3-Hydroxyheptanoylcarnitine

3-Hydroxyheptanoylcarnitine

C14H27NO5 (289.1889132)


   

6-acetamido-1-hydroxy-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide

6-acetamido-1-hydroxy-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide

C15H19N3O3 (289.1426344)


   

(R)-atropine

(R)-atropine

C17H23NO3 (289.1677848)


An atropine with a 2R-configuration.

   
   

O-3-Methylglutarylcarnitine

O-3-Methylglutarylcarnitine

C13H23NO6 (289.1525298)


An O-methylglutarylcarnitine compound having 3-methylglutaryl as the acyl substituent.

   

2-Amino-5-[[1-(carboxymethylamino)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

2-Amino-5-[[1-(carboxymethylamino)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

C11H19N3O6 (289.1273794)


   

oscr#14(1-)

oscr#14(1-)

C14H25O6 (289.16510500000004)


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#14, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

O-methylglutarylcarnitine

O-methylglutarylcarnitine

C13H23NO6 (289.1525298)


An O-acylcarnitine in which the acyl group specified is methylglutaryl.

   

(2S)-3-hydroxy-2-phenylpropanoic acid [(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester

(2S)-3-hydroxy-2-phenylpropanoic acid [(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester

C17H23NO3 (289.1677848)


   

(2S)-3-hydroxy-2-phenylpropanoic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester

(2S)-3-hydroxy-2-phenylpropanoic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester

C17H23NO3 (289.1677848)


   

ascr#14(1-)

ascr#14(1-)

C14H25O6 (289.16510500000004)


Conjugate base of ascr#14

   

Ecgonine benzoate

Ecgonine benzoate

C16H19NO4 (289.1314014)


A benzoate ester metabolite of cocaine formed by hydrolysis of the methyl ester group, catalysed by carboxylesterases.

   

O-Adipoyl-L-carnitine

O-Adipoyl-L-carnitine

C13H23NO6 (289.1525298)


An O-acyl-L-carnitine in which the acyl group specified is adipoyl.

   

tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate

tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate

C17H23NO3 (289.1677848)


A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3.