Exact Mass: 247.1213
Exact Mass Matches: 247.1213
Found 500 metabolites which its exact mass value is equals to given mass value 247.1213,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Linamarin
Linamarin is a beta-D-glucoside. It is functionally related to a 2-hydroxy-2-methylpropanenitrile. Linamarin is a natural product found in Osteospermum ecklonis, Lotus arenarius, and other organisms with data available. Linamarin is found in coffee and coffee products. Linamarin occurs in manioc (Manihot utilissimus), flax (Linum usitatissimum), Phaseolus lunatus (butter bean), Trifolium repens (white clover) and other plants. First isloated in 1830. Occurs in manioc (Manihot utilissimus), flax (Linum usitatissimum), Phaseolus lunatus (butter bean), Trifolium repens (white clover) and other plants. First isol in 1830. Linamarin is found in many foods, some of which are gooseberry, chinese broccoli, cascade huckleberry, and leek. Linamarin is found in coffee and coffee products. Linamarin occurs in manioc (Manihot utilissimus), flax (Linum usitatissimum), Phaseolus lunatus (butter bean), Trifolium repens (white clover) and other plants. First isloated in 1830. Linamarin, a natural compound, possesses anticancer activity[1]. Linamarin, a natural compound, possesses anticancer activity[1].
Meperidine
A narcotic analgesic that can be used for the relief of most types of moderate to severe pain, including postoperative pain and the pain of labor. Prolonged use may lead to dependence of the morphine type; withdrawal symptoms appear more rapidly than with morphine and are of shorter duration. [PubChem] D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AB - Phenylpiperidine derivatives D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
semustine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AD - Nitrosoureas C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
Ketobemidone
Ketobemidone (Cliradon, Ketogan, Ketodur, Cymidon, Ketorax, &c.) is a powerful opioid analgesic. Its effectiveness against pain is in the same range as morphine, and it also has some NMDA-antagonist properties imparted by its metabolite norketobemidone. This makes it useful for some types of pain that dont respond well to other opioids. The most commonly cited equalisation ratio for analgesic doses is 25 mg of ketobemidone hydrobromide to 60 mg of morphine hydrochloride or sulfate and circa 8 mg of ketobemidone by injection. Ketobemidone is 1-methyl-4-(3-hydroxyphenyl)-4-propionylpiperidine. It is usually available as the hydrochloride, which is a white powder. It is synthesized by alkylating (3-methoxyphenyl)acetonitrile with bis(2-chloroethyl)methylamine, followed by reaction with ethylmagnesiumbromide, and finally O-demethylation with hydrobromic acid. D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AB - Phenylpiperidine derivatives D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics Same as: D08100
N-(4-Coumaroyl)-L-homoserine lactone
An N-acyl-L-homoserine lactone having 4-coumaroyl as the acyl substituent.
Threonylglutamine
Threonylglutamine is a dipeptide composed of threonine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Threonyllysine
Threonyllysine is a dipeptide composed of threonine and lysine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Malonylcarnitine
Malonylcarnitine is a metabolite that accumulates with specific disruption of fatty-acid oxidation caused by impaired entry of long-chain acylcarnitine esters into the mitochondria and failure of the mitochondrial respiratory chain at complex 11 and malonyl-CoA decarboxylase (EC 4.1.1.9) deficiency (OMIM 248360). Malonylcarnitine has also been found to accumulate in some newborns with medium-chain acyl-CoA dehydrogenase (EC 1.3.99.3) deficiency (OMIM 201450). (PMID 11558490, 15303003, 12651823) [HMDB] Malonylcarnitine is a metabolite that accumulates with specific disruption of fatty-acid oxidation caused by the impaired entry of long-chain acylcarnitine esters into the mitochondria and failure of the mitochondrial respiratory chain at complex 11 and malonyl-CoA decarboxylase (EC 4.1.1.9) deficiency (OMIM: 248360). Malonylcarnitine has also been found to accumulate in some newborns with medium-chain acyl-CoA dehydrogenase (EC 1.3.99.3) deficiency (OMIM: 201450). (PMID:11558490, 15303003, 12651823).
3-Hydroxybutyrylcarnitine
3-Hydroxybutyrylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxybutyric 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-Hydroxybutyrylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 3-hydroxybutyrylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular 3-hydroxybutyrylcarnitine is elevated in the blood or plasma of individuals with short-chain L-3-hydroxyacyl-CoA dehydrogenase deficiency (PMID: 11489939, PMID: 15870679), prediabetes (PMID: 28505362), T2DM (PMID: 28505362), metallosis (PMID: 30271721), mitochondrial acetoacetyl-coa thiolase deficiency (PMID: 20157782), and heart failure (PMID: 25881932). It is also decreased in the blood or plasma of individuals with psoriasis (PMID: 33391503). 3-Hydroxybutyrylcarnitine is elevated in the urine of individuals with renal cell carcinoma (PMID: 29658093). Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). 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].
Glutaminylthreonine
Glutaminylthreonine is a dipeptide composed of glutamine and threonine. 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.
Lysylthreonine
Lysylthreonine is a dipeptide composed of lysine and threonine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Threoninyl-Gamma-glutamate
Threoninyl-Gamma-glutamate is a dipeptide composed of threonine and gamma-glutamate. 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.
(R)-3-hydroxybutyrylcarnitine
(R)-3-Hydroxybutyrylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxybutanoic 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. (R)-3-Hydroxybutyrylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine (R)-3-hydroxybutyrylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular (R)-3-hydroxybutyrylcarnitine is elevated in the blood or plasma of individuals with short-chain L-3-hydroxyacyl-CoA dehydrogenase deficiency (PMID: 11489939, PMID: 15870679), prediabetes (PMID: 28505362), T2DM (PMID: 28505362), metallosis (PMID: 30271721), mitochondrial acetoacetyl-coa thiolase deficiency (PMID: 20157782), and heart failure (PMID: 25881932). It is also decreased in the blood or plasma of individuals with psoriasis (PMID: 33391503). (R)-3-Hydroxybutyrylcarnitine is elevated in the urine of individuals with renal cell carcinoma (PMID: 29658093). Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). 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].
2-Ethoxy-1-ethoxycarbonyl-1,2-dihydroquinoline
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D009676 - Noxae > D000477 - Alkylating Agents
Ethylphenidate
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
Indenolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
Methoxetamine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics
4-(3,7-dimethylocta-2,6-dienyl)-1H-pyrrole-2-carboxylic acid
Methoxetamine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics
1,4-dioxa-8-azaspiro[4.5]dec-8-yl(phenyl)methanone
Ethylphenidate
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
N1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-2-cyano-3-(dimethylamino)acrylamide
(-)-undeca-5-hydroxy-2Z-ene-8,10-diynoic acid isobutylamide|(-)undeca-5-hydroxy-2Z-ene-8,10-diynoic acid isobutylamide
3-(4-methyl-2-oxo-3-phenyl-tetrahydro-[3]furyl)-propionic acid amide|3-(4-Methyl-2-oxo-3-phenyl-tetrahydro-[3]furyl)-propionsaeure-amid
Me glycoside,N-Ac,4,6-dimesyl-alpha-D-Pyranose-2-Amino-2,3-dideoxy-ribo-hexopyranose
Me glycoside,N-Ac,2,4-dimesyl-beta-D-Pyranose-3-Amino-3,6-dideoxygalactose
5-hydroxy-3-(1,2-dihydroxyprop-1-enyl)-1-methylquinolin-4-one
2-(3-Hydroxy-3-methylbutyl)-6-hydroxy-4(1H)-quinolone
1-Methyl-3-hydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroquinoline-2,4-dione
4,6-Dideoxy-3-C-methyl-4-(methuylamino)mannose,9CI-beta-D-Pyranose-form-Me glycoside,N-Ac
2-(3-Hydroxy-3-methylbutyl)-7-hydroxy-4(1H)-quinolone
ethyl 6-methoxy-2-oxo-1,2-dihydroquinoline-4-carboxylate
meperidine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AB - Phenylpiperidine derivatives D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; EAWAG_UCHEM_ID 3331 EAWAG_UCHEM_ID 3331; CONFIDENCE standard compound
1-Isothiocyanato-9-(methylsulfinyl)-nonane
Acquisition and generation of the data is financially supported in part by CREST/JST.
Lys-THR
A dipeptide formed from L-lysine and L-threonine residues.
n-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide
2,5-dihydro-pyrrole-1,3-dicarboxylic acid 1-benzylester
1-(4-carbamimidoyl phenyl)piperidine-4-carboxylicacid
Thiourea, N-(1-methyl-1H-pyrazol-3-yl)-N-(4-pyridinylmethyl)- (9CI)
Thiourea, N-(1-methyl-1H-pyrazol-3-yl)-N-(2-pyridinylmethyl)- (9CI)
6-[2-(2-ethyl-4-methyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
2-(2-METHOXY-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
TRANS-2,6-DIFLUORO-4-(4-VINYL-CYCLOHEXYL)-BENZONITRILE
4-(4-METHYLPIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID
ciclonicate
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AC - Nicotinic acid and derivatives C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
Carbovir
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides C254 - Anti-Infective Agent > C281 - Antiviral Agent
2-chloro-N-(1-hydroxy-2,2,6,6-tetramethyl-4-piperidyl)acetamide
N-(3-chloropropyl)-1-phenylpropan-2-amine,hydrochloride
2-(4-FLUOROPHENYL)-5-(PIPERIDIN-4-YL)-1,3,4-OXADIAZOLE
1H-Indole-1-carboxylic acid, 5-(hydroxyMethyl)-, 1,1-dimethylethyl ester
tert-Butyl 6-(hydroxymethyl)-1H-indole-1-carboxylate
tert-Butyl 4-(hydroxymethyl)-1H-indole-1-carboxylate
tert-Butyl 4-(chlorocarbonyl)-piperidine-1-carboxylate
ethyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-propanoate
METHYL 2-METHYL-8-OXO-5,6,7,8-TETRAHYDRO-1-OXA-7A-AZAINDACENE-4-CARBOXYLATE
6-methyl-2-(4-methylphenyl)-1,3,6,2-dioxazaborocane-4,8-dione
1-ethyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbohydrazide
2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PIPERIDINE HYDROCHLORIDE
ETHANONE, 1-(3,4-DIHYDRO-6,7-DIMETHOXY-1-METHYLENE-2(1H)-ISOQUINOLINYL)-
3-Isopropyl-d7-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide
ETHYL 7,7-DIMETHYL-5-OXO-5,6,7,8-TETRAHYDROQUINOLINE-3-CARBOXYLATE
4-(CYANO-DIMETHYL-METHYL)-2-ETHOXY-BENZOIC ACID METHYL ESTER
METHYL 2-(6-FLUORO-2,3-DIHYDRO-1H-PYRROLO[1,2-A]INDOL-1-YL)ACETATE
[amino(anilino)methylidene]-phenylazanium,chloride
5-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PENTANOIC ACID
3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid
CX 614
CX614 is a positive variant modulator of AMPA receptors that enhances excitatory postsynaptic potentials (amplitude and duration) by blocking and slowing the inactivation of responses to glutamate and automatically evokes excitatory postsynaptic currents in neuronal cultures. CX614 can be used in the study of psychiatric disorders such as depression[1][2].
(1S,4S)-4-(2,5-dimethyl-1H-pyrrol-1-yl)-1-(propan-2-yl)cyclopent-2-ene-1-carboxylic acid
2-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-one
Cyclohexanecarboxylic acid, 4-cyano-3-fluorophenyl ester
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Ethyl 8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanone
[4-[(cyclopentanecarbonylamino)methyl]phenyl]boronic acid
3-Fluoro-1,3-piperidinedicarboxylic acid 1-tert-butyl ester
benzyl 2-(dimethylaminomethylidene)-3-oxobutanoate
ethyl 3-(4-hydroxyphenyl)-5-methylisoxazole-4-carboxylate
(S)-Methyl 4-[(tert-butoxycarbonyl)amino]-5-hydroxypentanoate
(+/-)-THIOMORPHOLINE-3,4-DICARBOXYLICACID4-TERT-BUTYLESTER
1-OXO-SPIRO[CYCLOHEXANE-1,3(1H)-FURO[3,4-C]PYRIDINE]-4-CARBOXYLICACID
4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid
ethyl 7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
Naxagolide
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist Naxagolide ((+)-PHNO; Dopazinol) is a potent dopamine D2 (Dopamine Receptor) agonist. Naxagolide has the potential for the research of parkinson's disease (PD)[1][2].
3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
(6-((1-(TERT-BUTYL)-1H-PYRAZOL-5-YL)AMINO)PYRAZIN-2-YL)METHANOL
1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid
PIPERIDINE-3-CARBOXYLIC ACID (4-CARBAMOYL-PHENYL)-AMIDE
Parbendazole
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
2-PROPANAMIDO-7-METHOXY-3,4-DIHYDRONAPHTHALEN-1-(2H)-ONE
(S)-3-(4-ACETYLPHENYL)-4-ISOPROPYLOXAZOLIDIN-2-ONE
tert-butyl 2-(2-chloroacetyl)pyrrolidine-1-carboxylate
6-Methoxycarbonylindole-2-carboxylic acid ethyl ester
2-methyl-N-(4-phenylthiazol-2-yl)propane-1,2-diamine
7-Benzyl-8-hydroxy-1-oxa-7-azaspiro[4.4]nonan-6-one
Benzyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
(R)-METHYL 5-OXO-1-((R)-1-PHENYLETHYL)PYRROLIDINE-3-CARBOXYLATE
(1H-PYRROLO[2,3-B]PYRIDIN-5-YLMETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
(3S)-3,4-DIHYDRO-5-METHOXY-2H-1-BENZOPYRAN-3-AMINE
tert-butyl ((1H-pyrrolo[2,3-b]pyridin-4-yl)methyl)carbamate
5-METHOXY-2-METHYL-1-PROPYL-1H-INDOLE-3-CARBOXYLIC ACID
4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
4-Chloro-6-methyl-5-(2-methylbenzyl)-2-pyrimidinamine
Thiourea, N-(1-methyl-1H-pyrazol-3-yl)-N-(3-pyridinylmethyl)- (9CI)
1-(3,4-DIMETHYLPHENYLAMINO)CYCLOHEXANECARBOXYLICACID
[4-(3-Methyoxypropoxy)-3-methyl-2-pyridinyl]methanol hydrochloride
2-[2-[2-(methylamino)-2-oxoethyl]benzimidazol-1-yl]acetic acid
3-HYDROXY-3-(2-OXO-PROPYL)-1-PROPYL-1,3-DIHYDRO-INDOL-2-ONE
4-Chloro-6-methyl-5-(4-methylbenzyl)-2-pyrimidinamine
1-(4-Propylphenyl)-5-oxopyrrolidine-3-carboxylic acid
1-(Cyclohexylmethyl)pyrrolidine-2-carboxylic acid hydrochloride
1-(3,5-DIMETHYLPHENYLAMINO)CYCLOHEXANECARBOXYLICACID
2-(4-METHYLPHENYL)-2-PHENYLETHYLAMINE HYDROCHLORIDE
1-(4-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid
DI-TERT-BUTYL(METHYL)PHOSPHONIUM TETRAFLUOROBORATE
5-[4-(TERT-BUTYL)PHENYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Varenicline (Hydrochloride)
Varenicline (CP 526555) is an orally active partial agonist of α4β2 nicotinic acetylcholine receptor (α4β2 nAChR, IC50 = 250 nM), which is the principal mediator of nicotine dependence. Varenicline is also a partial agonist of α6β2 nAChR and a full agonist of α6β2 nAChR. Varenicline blocks the direct agonist effects of nicotine on nAChR while stimulates nAChR in a more moderate way, being widely used as an aid of smoking cessation[1][2][3][4][5].
Ethyl-1-(3-methoxyphenyl)-1H-1,2,4-triazole-3- carboxylate
6-FORMYL-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
N-tert-Butoxycarbonyl-L-aspartic acid 1-methyl ester
Isoprenaline hydrochloride
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents Isoprenaline (Isoproterenol) hydrochloride is a non-selective, orally active β-adrenergic receptor agonist. Isoprenaline has potent peripheral vasodilator, bronchodilator, and cardiac stimulating activities. Isoprenaline can be used for the research of bradycardia and bronchial asthma[1][2][3][4][5][6].
METHYL 4-(DIMETHYLAMINO)BICYCLO[2.2.2]OCTANE-1-CARBOXYLATE HYDROCHLORIDE
(3-endo)-N-(2-Nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine
D-ASPARTIC ACID, N-[(1,1-DIMETHYLETHOXY)CARBONYL]-, 4-METHYL ESTER
1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol
7-Chloro-4-(piperazin-1-yl)quinoline
7-Chloro-4-(piperazin-1-yl)quinolone is an important scaffold in medicinal chemistry. 7-Chloro-4-(piperazin-1-yl)quinolone is a potent sirtuin inhibitor and also inhibits the serotonin uptake (IC50 of 50 μM). 7-Chloro-4-(piperazin-1-yl)quinolone exhibits antimalarial activity on D10 and K1 strains of P. falciparum with IC50s of 1.18 μM and 0.97 μM, respectively[1].
Methyl 4-(5-amino-1-methyl-1H-benzimidazol-2-yl)butanoate
tert-butyl 3-aMino-6-Methyl-1H-indazole-1-carboxylate
cis-1-(tert-butoxycarbonyl)-3-fluoropiperidine-4-carboxylic acid
2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine,hydrochloride
3-(1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
(2S,4S)-1-(TERT-BUTOXYCARBONYL)-4-FLUOROPIPERIDINE-2-CARBOXYLIC ACID
2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
1-[1,3]Oxazolo[4,5-b]pyridin-2-ylpiperidine-4-carboxylic acid
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanenitrile
6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-[1,2,5]OXADIAZOLO[3,4-B]PYRIDINE
n-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide
6-[3-(TETRAHYDRO-PYRAN-2-YLOXY)-PROPENYL]-PYRIDINE-2-CARBALDEHYDE
methoxamine hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
3-(4-METHYLPIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID
2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic acid
2-((TERT-BUTOXYCARBONYL)AMINO)-4-METHOXY-4-OXOBUTANOIC ACID
4-(1-Cyanocyclobutylamino)-2-fluoro-n-methylbenzamide
(2S)-2-(carbamoylamino)-3-(1H-indol-3-yl)propanoic acid
4-butyl-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione
2-[(2E)-2-(1,4-dimethylquinolin-2-ylidene)ethylidene]propanedinitrile
2-[[2-(3,5-Dimethyl-1-pyrazolyl)-6-methyl-4-pyrimidinyl]amino]ethanol
Ala-Ala-Ser
A tripeptide composed of two L-alanyl units and an L-serine joined by peptide linkages.
2-Acetamido-2-(hydroxymethyl)propanedioic acid diethyl ester
(4S)-4-benzyl-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
Methyl 4-methyl-4-nitroso-2-trimethylsiloxy-pentanoate
1H-Indole-2-carboxylic acid, 1-methyl-, trimethylsilyl ester
(3ar,5r,6s,7r,7ar)-5-(Hydroxymethyl)-2-Propyl-5,6,7,7a-Tetrahydro-3ah-Pyrano[3,2-D][1,3]thiazole-6,7-Diol
Ketobemidone
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AB - Phenylpiperidine derivatives D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics Same as: D08100
Nemerol
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AB - Phenylpiperidine derivatives D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)acetamide
[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]-trimethylazanium
1-Deoxy-11-oxopentalenate
A 5-oxo monocarboxylic acid anion that is the conjugate base of 1-deoxy-11-oxopentalenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
3-[4-Hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-oxopropanoate
(2S)-2-azaniumyl-5-{[(1S,2R)-1-carboxylato-2-hydroxypropyl]amino}-5-oxopentanoate
(3S)-3-[(3R)-3-hydroxybutanoyl]oxy-4-(trimethylazaniumyl)butanoate
1-[(E)-(2,4-dimethylphenyl)methylideneamino]-3-prop-2-enylthiourea
(2E)-1-(4-methoxyphenyl)-3-(morpholin-4-yl)prop-2-en-1-one
N-cyclohexyl-6-methyl-4-thieno[2,3-d]pyrimidinamine
alpha-Carboxy-N,N,N-trimethyl-1H-indole-3-ethan-1-aminium
ethyl 1-[2-(dibenzylamino)ethyl]-5-methoxy-1H-indole-2-carboxylate
5-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]pentanoate
(4R)-4-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxypentanoate
(4R)-3-(Tert-butoxycarbonyl)-4-hydroxymethyl-2,2-dimethyl-1,3-thiazolidine
1H-Indole-2,3-dione, 5,7-dimethyl-1-(trimethylsilyl)-
5-(3-Hydroxy-3,4,4-trimethyl-1-pentynyl)pyridine-2-carboxylic acid
1-Acetyl-4-(2-pyridyl)-2-pyrazoline-3-carboxylic acid methyl ester
(3R)-4-(Tert-butylthio)-3-ethoxycarbonylamino-2-butanone
8-Aza-8-phenyl-6,7-benzo-bicyclo(3,2,1)-3-EN-2-one
semustine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AD - Nitrosoureas C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
L-gamma-Glu-L-Thr(1-)
A peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of L-gamma-Glu-L-Thr. Major species at pH 7.3.
O-Malonyl-L-carnitine
An O-acyl-L-carnitine in which the acyl group is specified as malonyl.
(R)-3-hydroxybutyrylcarnitine
An O-hydroxybutyryl-L-carnitine in which the acyl group is specified as 3-hydroxybutyryl.
3-hydroxybutyrylcarnitine
An O-acylcarnitine having 3-hydroxybutyryl as the acyl substituent.
(3S)-3-[(2-carboxyacetyl)oxy]-4-(trimethylazaniumyl)butanoate
O-hydroxybutyryl-L-carnitine
An O-acyl-L-carnitine that is L-carnitine having a hydroxybutyryl group as the acyl substituent in which the positions of the hydroxy group is unspecified.
oscr#9(1-)
A hydroxy fatty acid ascaroside anion resulting from the deprotonation of the carboxy group of oscr#9. The conjugate base of oscr#9 and the major species at pH 7.3.
S-octanoyl-L-cysteine
An L-cysteine derivative obtained by formal condensation of the carboxy group of octanoic acid with the side-chain thiol group of L-cysteine.
