Exact Mass: 213.0789746
Exact Mass Matches: 213.0789746
Found 500 metabolites which its exact mass value is equals to given mass value 213.0789746,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Baclofen
Baclofen is a gamma-amino-butyric acid (GABA) derivative used as a skeletal muscle relaxant. Baclofen stimulates GABA-B receptors leading to decreased frequency and amplitude of muscle spasms. It is especially useful in treating muscle spasticity associated with spinal cord injury. It appears to act primarily at the spinal cord level by inhibiting spinal polysynaptic afferent pathways and, to a lesser extent, monosynaptic afferent pathways. M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant D002491 - Central Nervous System Agents (R)-Baclofen (Arbaclofen) is a selective GABAB receptor agonist[1]. Baclofen, a lipophilic derivative of γ-aminobutyric acid (GABA), is an orally active, selective metabotropic GABAB receptor (GABABR) agonist. Baclofen mimics the action of GABA and produces slow presynaptic inhibition through the GABAB receptor. Baclofen has high blood brain barrier penetrance. Baclofen has the potential for muscle spasticity research[1][2][3].
Simetryn
CONFIDENCE standard compound; INTERNAL_ID 928; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7531; ORIGINAL_PRECURSOR_SCAN_NO 7528 CONFIDENCE standard compound; INTERNAL_ID 928; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7493; ORIGINAL_PRECURSOR_SCAN_NO 7491 CONFIDENCE standard compound; INTERNAL_ID 928; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7430; ORIGINAL_PRECURSOR_SCAN_NO 7428 CONFIDENCE standard compound; INTERNAL_ID 928; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7547; ORIGINAL_PRECURSOR_SCAN_NO 7544 CONFIDENCE standard compound; INTERNAL_ID 928; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7469; ORIGINAL_PRECURSOR_SCAN_NO 7467 CONFIDENCE standard compound; INTERNAL_ID 928; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7529; ORIGINAL_PRECURSOR_SCAN_NO 7525 CONFIDENCE standard compound; INTERNAL_ID 2605 CONFIDENCE standard compound; INTERNAL_ID 8404 CONFIDENCE standard compound; INTERNAL_ID 4021
Phenazopyridine
Phenazopyridine is only found in individuals that have used or taken this drug. It is a local anesthetic that has been used in urinary tract disorders. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity. [PubChem]Phenazopyridines mechanism of action is not well known, and only basic information on its interaction with the body is available. It is known that the chemical has a direct topical analgesic effect on the mucosa lining of the urinary tract. C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals KEIO_ID P036; [MS2] KO009187 KEIO_ID P036
Chlorpropham
D006133 - Growth Substances > D010937 - Plant Growth Regulators CONFIDENCE standard compound; INTERNAL_ID 2623 CONFIDENCE standard compound; INTERNAL_ID 8450 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline
2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline is found in animal foods. 2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline is a food-related mutagen isolated from cooked meats (especially grilled/barbecued Food-related mutagen isolated from cooked meats (especies grilled/barbecued). 2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline is found in animal foods. CONFIDENCE standard compound; INTERNAL_ID 2292 CONFIDENCE standard compound; INTERNAL_ID 6 D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
Digenin
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018690 - Excitatory Amino Acid Agonists D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent Kainic acid is a potent excitotoxic agent. Kainic acid hydrate also is an agonist for a subtype of ionotropic glutamate receptor. Kainic acid induces seizures[1][2]. Kainic acid is a potent excitotoxic agent. Kainic acid hydrate also is an agonist for a subtype of ionotropic glutamate receptor. Kainic acid induces seizures[1][2].
3-oxo-C6-homoserine lactone
CONFIDENCE standard compound; INTERNAL_ID 208
Benzyl nicotinate
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent Same as: D01419
N-phenylanthranilic acid
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Cetoniacytone A
A member of the class of cyclohexenones that is (1R,5S,6R)-4-amino-5-hydroxy-1-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one in which one of the amino hydrogens is replaced by an acetyl group.
Salicylanilide
CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8893; ORIGINAL_PRECURSOR_SCAN_NO 8889 CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4519; ORIGINAL_PRECURSOR_SCAN_NO 4518 CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4485; ORIGINAL_PRECURSOR_SCAN_NO 4483 CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4501; ORIGINAL_PRECURSOR_SCAN_NO 4498 CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4511; ORIGINAL_PRECURSOR_SCAN_NO 4507 CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8917; ORIGINAL_PRECURSOR_SCAN_NO 8912 ORIGINAL_PRECURSOR_SCAN_NO 4498; CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4501 CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4478; ORIGINAL_PRECURSOR_SCAN_NO 4476 CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4461; ORIGINAL_PRECURSOR_SCAN_NO 4458 C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
CLORPRENALINE
C11H16ClNO (213.09203559999997)
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist Clorprenaline is a potent agonist of β2-adrenergic. Clorprenaline promotes animal muscular mass growth and decreases fat accumulation. Clorprenaline is a potential new lean meat-boosting feed additive[1].
Baclofen
M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant D002491 - Central Nervous System Agents Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID B013; [MS2] KO008869 KEIO_ID B013 Baclofen, a lipophilic derivative of γ-aminobutyric acid (GABA), is an orally active, selective metabotropic GABAB receptor (GABABR) agonist. Baclofen mimics the action of GABA and produces slow presynaptic inhibition through the GABAB receptor. Baclofen has high blood brain barrier penetrance. Baclofen has the potential for muscle spasticity research[1][2][3].
Droxidopa
Droxidopa is a precursor of noradrenaline that is used in the treatment of Parkinsonism. It is approved for use in Japan and is currently in trials in the U.S. The racaemic form (dl-threo-3,4-dihydroxyphenylserine) has also been used, and has been investigated in the treatment of orthostatic hypotension. There is a deficit of noradrenaline as well as of dopamine in Parkinsons disease and it has been proposed that this underlies the sudden transient freezing seen usually in advanced disease. Droxidopa (L-DOPS; SM5688) is a potent, orally active norepinephrine precursor. Droxidopa increases standing blood pressure, ameliorates symptoms of orthostatic hypotension and improves standing ability. Droxidopa has the potential for the research of neurogenic orthostatic hypotension (nOH) and alternative ADHD (attention deficit hyperactivity disorder)[1][2][3][4].
2-(4-Methyl-5-thiazolyl)ethyl butanoate
2-(4-Methyl-5-thiazolyl)ethyl butanoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
2-(4-Methyl-5-thiazolyl)ethyl isobutyrate
2-(4-Methyl-5-thiazolyl)ethyl isobutyrate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
4-(Phenylamino)benzoic acid
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
2-(p-Aminobenzamido)pyridine
C12H11N3O (213.09020759999999)
beta-L-Dioxolane-cytidine
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D000970 - Antineoplastic Agents
Clorprenaline
C11H16ClNO (213.09203559999997)
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist Clorprenaline is a potent agonist of β2-adrenergic. Clorprenaline promotes animal muscular mass growth and decreases fat accumulation. Clorprenaline is a potential new lean meat-boosting feed additive[1].
Methyl 2-amino-3-(4-chlorophenyl)propanoate
4-((2-Nitro-1H-imidazol-1-yl)methoxy)-2-buten-1-ol
4-(1-Hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
N-BUTYLBENZENESULFONAMIDE
A sulfonamide that is benzenesulfonamide substituted by a butyl group at the nitrogen atom. It has been isolated from the plant Prunus africana and has been shown to exhibit antiandrogenic activity. D009676 - Noxae > D009498 - Neurotoxins D010968 - Plasticizers CONFIDENCE standard compound; INTERNAL_ID 2299 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1008 CONFIDENCE standard compound; INTERNAL_ID 8789 CONFIDENCE standard compound; INTERNAL_ID 8234
2-(Cyclopropylcarbonyl)-3-(2-pyridylamino)acrylonitrile
C12H11N3O (213.09020759999999)
4-tert-Butylbenzenesulfonamide
CONFIDENCE standard compound; INTERNAL_ID 2522
1-(2,5-Dihydro-3-methylfuran-2-yl)-3-hydroxy-5-methoxypyrrolidine-2-one
cassiarin A
An isoquinoline alkaloid that is pyrano[2,3,4-ij]isoquinoline substituted by a hydroxy group at position 8 and methyl groups at positions 2 and 5. It is isolated from the leaves of Cassia siamea and exhibits antiplasmodial activity against Plasmodium falciparum.
4-Ethoxy-3,3a,4,5,7,7a-hexahydro-3a-hydroxy-1H-indole-2,6-dione
(3aR)-4,4-Dimethyl-6-oxo-(3ar,7ac)-octahydro-pyrano[3,4-c]pyrrol-1c-carbonsaeure|(3aR)-4,4-dimethyl-6-oxo-(3ar,7ac)-octahydro-pyrano[3,4-c]pyrrole-1c-carboxylic acid|kainic acid lactone
Bruceolline E
An indole alkaloid that is 1,2,3,4-tetrahydrocyclopenta[b]indole substituted by geminal-methyl groups at position 3 and oxo groups at positions 1 and 2. It has been isolated from the ethanol extract of the stems of Brucea mollis.
PHA-767491
C12H11N3O (213.09020759999999)
Kainic acid
Kainic acid is a dicarboxylic acid, a pyrrolidinecarboxylic acid, a L-proline derivative and a non-proteinogenic L-alpha-amino acid. It has a role as an antinematodal drug and an excitatory amino acid agonist. It is a conjugate acid of a kainate(1-). (2S-(2 alpha,3 beta,4 beta))-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid. Ascaricide obtained from the red alga Digenea simplex. It is a potent excitatory amino acid agonist at some types of excitatory amino acid receptors and has been used to discriminate among receptor types. Like many excitatory amino acid agonists it can cause neurotoxicity and has been used experimentally for that purpose. D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018690 - Excitatory Amino Acid Agonists D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent Kainic acid is a potent excitotoxic agent. Kainic acid hydrate also is an agonist for a subtype of ionotropic glutamate receptor. Kainic acid induces seizures[1][2]. Kainic acid is a potent excitotoxic agent. Kainic acid hydrate also is an agonist for a subtype of ionotropic glutamate receptor. Kainic acid induces seizures[1][2].
Terbuthylazine-TP CSAA036479 (LM2)
CONFIDENCE standard compound; UCHEM_ID 4176 UCHEM_ID 4176; CONFIDENCE standard compound
N-(3-Oxohexanoyl)-L-homoserine lactone
N-(3-Oxohexanoyl)-L-homoserine lactone (3-oxo-C6-HSL) is an important signaling molecule used by many bacteria in a process known as quorum sensing (QS). This process allows bacteria to communicate with each other and coordinate their behavior based on population density. Here are some of the key biological functions of 3-oxo-C6-HSL: 1. **Quorum Sensing Signaling**: As a quorum sensing autoinducer, 3-oxo-C6-HSL plays a critical role in regulating gene expression in response to changes in cell population density. When the concentration of 3-oxo-C6-HSL reaches a certain threshold, it binds to specific receptors, triggering a cascade of cellular responses. 2. **Regulation of Virulence Factors**: In many pathogenic bacteria, 3-oxo-C6-HSL is involved in the regulation of virulence factors, which are molecules or proteins that enhance the bacterium's ability to cause disease. By controlling the expression of these factors, 3-oxo-C6-HSL can significantly influence the pathogenicity of the bacteria. 3. **Biofilm Formation and Regulation**: Biofilms are structured communities of bacteria that are often encased in a self-produced matrix. 3-oxo-C6-HSL can play a role in the initiation, development, and maintenance of biofilms. Biofilms are associated with increased resistance to antibiotics and immune system evasion, making them a significant concern in medical and industrial settings. 4. **Cell Motility and Swarm Behavior**: In some bacteria, 3-oxo-C6-HSL is involved in regulating cell motility, which includes the ability to move towards or away from certain stimuli. This can affect the bacteria's ability to colonize new areas or to form biofilms. 5. **Symbiotic Interactions**: 3-oxo-C6-HSL is not only important in pathogenic bacteria but also in beneficial interactions, such as those found in nitrogen-fixing bacteria or in symbiotic relationships with plants and animals. Understanding the role of 3-oxo-C6-HSL and other quorum sensing molecules is crucial for developing new strategies to control bacterial infections, manage biofilm-related issues, and potentially exploit these systems for beneficial purposes.
phenazopyridine
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals CONFIDENCE standard compound; INTERNAL_ID 801; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7480; ORIGINAL_PRECURSOR_SCAN_NO 7478 CONFIDENCE standard compound; INTERNAL_ID 801; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7493; ORIGINAL_PRECURSOR_SCAN_NO 7491 CONFIDENCE standard compound; INTERNAL_ID 801; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7521; ORIGINAL_PRECURSOR_SCAN_NO 7518 CONFIDENCE standard compound; INTERNAL_ID 801; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7529; ORIGINAL_PRECURSOR_SCAN_NO 7525 CONFIDENCE standard compound; INTERNAL_ID 801; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7547; ORIGINAL_PRECURSOR_SCAN_NO 7544 CONFIDENCE standard compound; INTERNAL_ID 801; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7531; ORIGINAL_PRECURSOR_SCAN_NO 7528
Clasto-Lactacystin β-lactone
L-DOPS
Droxidopa (L-DOPS; SM5688) is a potent, orally active norepinephrine precursor. Droxidopa increases standing blood pressure, ameliorates symptoms of orthostatic hypotension and improves standing ability. Droxidopa has the potential for the research of neurogenic orthostatic hypotension (nOH) and alternative ADHD (attention deficit hyperactivity disorder)[1][2][3][4].
2-phenyl-6,7-dihydro-5H-benzotriazol-4-one
C12H11N3O (213.09020759999999)
(R)-2-Methyl-3,5-dioxo-pyrrolidine-1-carboxylic acid tert-butyl ester
5-chloro-2-(3-methoxypropyl)pyridine-4-carbaldehyde
Carbamic acid,(3-chloro-4-methylphenyl)-, ethyl ester (9CI)
1-Pyridin-3-yl-methylpiperazine hydrochloride
C10H16ClN3 (213.10326859999998)
N-(tert-butyl)-3-chloropropane-1-sulfonamide
C7H16ClNO2S (213.05902260000002)
2-(Ethylamino)Propiophenone Hydrochloride
C11H16ClNO (213.09203559999997)
4-isothiocyanato-2,2,6,6-tetramethylpiperidine 1-oxyl
ETHYL 6,7-DIHYDRO-4H-PYRANO[4,3-D]-1,3-THIAZOLE-2-CARBOXYLATE
1-(4-ISOCYANATOPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE
C12H11N3O (213.09020759999999)
2,3-Dihydro-1H-cyclopenta(b)quinoline-9-carboxylic acid
(4-Chloro-Phenyl)-Dimethylamino-Acetic Acid Hydrochloride
1-[(4-Pyridyl)Methyl]piperazine Hydrochloride
C10H16ClN3 (213.10326859999998)
2-ACETYLAMINO-4,5-DIMETHYL-THIOPHENE-3-CARBOXYLIC ACID
(R)-2-Amino-5-methoxy-1,2,3,4-tetrahydronaphthalene hydrochloride
C11H16ClNO (213.09203559999997)
4-(1-Aminocyclopropyl)benzoic acid hydrochloride (1:1)
1H-Isoindole-1-carboxylic acid, 2,3-dihydro-, Methyl ester, hydrochloride
4-fluoro-1-[(2-methylpropan-2-yl)oxy]-2-nitrobenzene
tert-butyl 2-amino-5-methylthiophene-3-carboxylate
5-AMINO-1H-PYRAZOLE-1,3-DICARBOXYLIC ACID ETHYL METHYL ESTER
N-HYDROXY-3-(2-METHYL-4-NITRO-1H-IMIDAZOL-1-YL)PROPANIMIDAMIDE
1-METHYL-4-NITRO-3-PROPYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
4-tert-butylpyridine-2-carboximidamide,hydrochloride
C10H16ClN3 (213.10326859999998)
methyl 2-amino-5-tert-butylthiophene-3-carboxylate
D-1,2,3,4-TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID HYDROCHLORIDE
4-(6-CHLORO-2-METHYLPYRIMIDIN-4-YL)MORPHOLINE
C9H12ClN3O (213.06688519999997)
4-(2,3-DIHYDRO-1H-INDOL-1-YL)-1,3,5-TRIAZIN-2-AMINE
Phenmetrazine hydrochloride
C11H16ClNO (213.09203559999997)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants
1-(6-chloropyridazin-3-yl)piperidin-3-ol
C9H12ClN3O (213.06688519999997)
5-(4-FLUOROPHENYL)-1H-PYRAZOL-3-AMINE HYDROCHLORIDE
(S)-1-Boc-2,3-dihydro-1H-pyrrole-2-carboxylic acid
(1R)CYCLOPROPYL(3-METHOXYPHENYL)METHYLAMINE-HCl
C11H16ClNO (213.09203559999997)
3-AMINO-3-(3-FLUORO-4-METHOXY-PHENYL)-PROPIONIC ACID
3-AMINO-3-(4-CHLORO-3-METHYL-PHENYL)-PROPIONIC ACID
3-AMINOMETHYL-THIOPHENE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
5-butylpyridine-2-carboximidamide,hydrochloride
C10H16ClN3 (213.10326859999998)
(2E)-2-(THIEN-2-YLMETHYLENE)CYCLOHEXANONE
C12H11N3O (213.09020759999999)
7-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE HYDROCHLORIDE
C11H16ClNO (213.09203559999997)
1H-Imidazole-2-carbonitrile,4-(4-ethoxyphenyl)-(9CI)
C12H11N3O (213.09020759999999)
ethyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate
1-(6-Chloropyrimidin-4-yl)-4-piperidinol
C9H12ClN3O (213.06688519999997)
(4,6-DIAMINOPYRIMIDIN-2-YL)THIO]ACETIC ACID
C11H16ClNO (213.09203559999997)
Methyl 4-(tert-butyl)-2-methylthiazole-5-carboxylate
(+)-Baclofen
C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant
1H-Pyrazole-4-carbonitrile,1-(2-hydroxyethyl)-5-phenyl-
C12H11N3O (213.09020759999999)
1-(2-Pyridinyl)-2-piperazinone hydrochloride (1:1)
C9H12ClN3O (213.06688519999997)
5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine,hydrochloride
C11H16ClNO (213.09203559999997)
droxidopa
A serine derivative that is L-serine substituted at the beta-position by a 3,4-dihydroxyphenyl group. A prodrug for noradrenalone, it is used for treatment of neurogenic orthostatic hypotension C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent Droxidopa (L-DOPS; SM5688) is a potent, orally active norepinephrine precursor. Droxidopa increases standing blood pressure, ameliorates symptoms of orthostatic hypotension and improves standing ability. Droxidopa has the potential for the research of neurogenic orthostatic hypotension (nOH) and alternative ADHD (attention deficit hyperactivity disorder)[1][2][3][4].
3-DIMETHYLAMINOPROPIOPHENONE HYDROCHLORIDE
C11H16ClNO (213.09203559999997)
Pentanamide, N-(6-chloro-3-pyridazinyl)-
C9H12ClN3O (213.06688519999997)
5-Pyrimidinecarbonitrile,1,2,3,4-tetrahydro-2,4-dioxo-1-phenyl-
3-(ISOTHIOCYANATOMETHYL)-2,2,5,5-TETRAMETHYL-1-PYRROLIDINYLOXY
1-(3-Chloro-4-fluorophenyl)piperidine
C11H13ClFN (213.07205000000002)
1,2,3,4-TETRAHYDROQUINOLINE-2-CARBOXYLICACIDHYDROCHLORIDE
ethyl 4-methoxy-1-methyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carboxylate
4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride
C11H13ClFN (213.07205000000002)
N-(2-AMINO-PHENYL)-ISONICOTINAMIDE
C12H11N3O (213.09020759999999)
4-(5-HYDROXYMETHYLIMIDAZOL-1-YLMETHYL)BENZONITRILE
C12H11N3O (213.09020759999999)
(1s,2s)-(+)-2-amino-1-[4-(methylthio)phenyl]-1,3-propanediol
(4-AMINO-2-(METHYLTHIO)PYRIMIDIN-5-YL)METHANOL
C12H11N3O (213.09020759999999)
4-(4-FLUOROPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE HYDROCHLORIDE
C11H13ClFN (213.07205000000002)
1-((4-Chlorophenethyl)amino)propan-2-ol
C11H16ClNO (213.09203559999997)
3-CHLOROPHENYLMETHANESULFONYL CHLORIDE
C11H16ClNO (213.09203559999997)
5-FLUORO-2-METHOXYPHENYLBORONICACID
C11H16ClNO (213.09203559999997)
(S)-Cyclopropyl(3-methoxyphenyl)methanamine hydrochloride
C11H16ClNO (213.09203559999997)
(S)-Cyclopropyl(4-Methoxyphenyl)Methanamine hydrochloride
C11H16ClNO (213.09203559999997)
6-tert-butyl-4-methyl-3-(methylthio)-1,2,4-triazin-5(4H)-one
C9H15N3OS (213.09357799999998)
N-(2-Amino-phenyl)-nicotinamide
C12H11N3O (213.09020759999999)
4-[(Methylsulfonyl)methyl]piperidine hydrochloride
C7H16ClNO2S (213.05902260000002)
4-(1-Aminocyclopropyl)phenylboronic acid hydrochloride
3-Piperidinol, 1-(4-chloro-2-pyrimidinyl)-
C9H12ClN3O (213.06688519999997)
2-(N-Morpholino)ethanesulfonic acid monohydrate
C6H15NO5S (213.06708999999998)
ethyl DL-methionate hydrochloride
C7H16ClNO2S (213.05902260000002)
2-O-benzyl 3-O-ethyl (3S,3aS,6aR)-6-oxo-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-2,3-dicarboxylate
2-(Methylamino)-1-(p-tolyl)propan-1-one hydrochloride
C11H16ClNO (213.09203559999997)
N1-[(6-Chloro-3-pyridinyl)methyl]-2-methyl-1,2-propanediamine
C10H16ClN3 (213.10326859999998)
(2S)-2-amino-3-[1-(carboxymethyl)imidazol-4-yl]propanoic acid
(2R)-8-Methoxy-1,2,3,4-tetrahydro-2-naphthalenamine hydrochloride (1:1)
C11H16ClNO (213.09203559999997)
(2S)-8-Methoxy-1,2,3,4-tetrahydro-2-naphthalenamine hydrochloride (1:1)
C11H16ClNO (213.09203559999997)
(S)-5-Methoxy-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
C11H16ClNO (213.09203559999997)
(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate
(S)-1-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid
5-HT1A modulator 2 hydrochloride
C11H16ClNO (213.09203559999997)
5-HT1A modulator 2 hydrochloride, a derivative of 8-OH-DPAT (HY-112061), is a modulator of 5-HT1A with a Ki of 53 nM for 5-HT1A binding[1].
1-(6-Chloropyridazin-3-yl)piperidin-4-ol
C9H12ClN3O (213.06688519999997)
5-Acetyl-2-methyl-4-thiazolecarboxylic acid ethyl ester
2-Methylmethcathinone hydrochloride
C11H16ClNO (213.09203559999997)
(3S)-3-(Benzyloxy)pyrrolidine hydrochloride (1:1)
C11H16ClNO (213.09203559999997)
ETHYL CIS-2-ISOTHIOCYANATO-1-CYCLOHEXANECARBOXYLATE
(R)-7-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE HYDROCHLORIDE
C11H16ClNO (213.09203559999997)
2-ACETYLAMINO-2-CYANO-N-(3-METHOXY-PROPYL)-ACETAMIDE
4-ISOCYANATO-3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE
C12H11N3O (213.09020759999999)
4-Chloro-6-methyl-5-pentyl-2-pyrimidinamine
C10H16ClN3 (213.10326859999998)
2,4-DICHLORO-5-FLUOROBENZOYLCHLORIDE
C11H16ClNO (213.09203559999997)
1,2,3,4-Tetrahydroisoquinoline-1-carboxylic acid hydrochloride
4-Thiazolecarboxylicacid,2-(2-methylpropyl)-,ethylester(9CI)
2-Amino-7-methoxytetralin hydrochloride
C11H16ClNO (213.09203559999997)
N-PHENYL-TETRAHYDRO-2H-PYRAN-4-AMINE HYDROCHLORIDE
C11H16ClNO (213.09203559999997)
(2-TERT-BUTYLTHIAZOL-4-YL)ACETIC ACID HYDRAZIDE
C9H15N3OS (213.09357799999998)
3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine
3-(2-METHOXYPHENYL)PYRROLIDINE HYDROCHLORIDE
C11H16ClNO (213.09203559999997)
(S)-Cyclopropyl(2-Methoxyphenyl)Methanamine hydrochloride
C11H16ClNO (213.09203559999997)
L-1,2,3,4-TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID HYDROCHLORIDE
3-Chloro-6-(4-piperidyloxy)pyridazine
C9H12ClN3O (213.06688519999997)
Ethyl 4-amino-2-(methylsulfanyl)pyrimidine-5-carboxylate
4-Phenoxypiperidine hydrochloride (1:1)
C11H16ClNO (213.09203559999997)
5-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE HYDROCHLORIDE
C11H16ClNO (213.09203559999997)
8-METHOXY-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE HYDROCHLORIDE
C11H16ClNO (213.09203559999997)
(3R)-3-(Benzyloxy)pyrrolidine hydrochloride (1:1)
C11H16ClNO (213.09203559999997)
Methyl 5-isoindolinecarboxylate hydrochloride (1:1)
2-amino-4-(3-methoxyphenyl)-1H-pyrrole-3-carbonitrile
C12H11N3O (213.09020759999999)
5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-7-carbaldehyde
(3-Benzyloxycyclobutyl)amine hydrochloride
C11H16ClNO (213.09203559999997)
3-phenylmethoxycyclobutan-1-amine,hydrochloride
C11H16ClNO (213.09203559999997)
tert-butyl N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]carbamate
5,6,7,8-TETRAHYDRO-4-METHYL-2-QUINAZOLINEMETHANAMINEHYDROCHLORIDE
C10H16ClN3 (213.10326859999998)
1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBOXYLIC ACID HYDROCHLORIDE
3-hydroxyamino-1-methyl-5H-pyrido(4,3-b)indole
C12H11N3O (213.09020759999999)
PluriSln 1
C12H11N3O (213.09020759999999)
PluriSIn 1 (NSC 14613) is an inhibitor of stearoyl-coA desaturase (SCD), and is a pluripotent cell-specific inhibitor.
1H-2-Benzopyran-1-methanamine,3,4-dihydro-N-methyl-, hydrochloride (1:1)
C11H16ClNO (213.09203559999997)
7-METHOXY-2,3-DIHYDROISOQUINOLIN-4(1H)-ONE HYDROCHLORIDE
1-Methyl-4-nitro-5-propyl-1H-pyrazole-3-carboxylic Acid
4-(4-CHLORO-6-METHYL-2-PYRIMIDINYL)MORPHOLINE
C9H12ClN3O (213.06688519999997)
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-
Resin acids, hydrogenated, esters with glycerol
C6H15NO5S (213.06708999999998)
3-(1-Piperazinyl)aniline hydrochloride (1:1)
C10H16ClN3 (213.10326859999998)
1-(4-Chloro-2-pyrimidinyl)-4-piperidinol
C9H12ClN3O (213.06688519999997)
(2S)-2-(2-CHLORO-6-FLUORO-3-METHYLPHENYL)PYRROLIDINE
C11H13ClFN (213.07205000000002)
(S)-2-(3-CHLORO-4-FLUOROPHENYL)PIPERIDINE
C11H13ClFN (213.07205000000002)
(R)-1-(2-Chloro-6-methyl-pyrimidin-4-yl)-pyrrolidin-3-ol
C9H12ClN3O (213.06688519999997)
2-(4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl)acetic acid
6-(dimethoxymethyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
(S)-2-amino-3-(4-(chloromethyl)phenyl)propanoic acid
1,8-Dimethylimidazo[1,2-a]chinoxalin-4(5H)-on
C12H11N3O (213.09020759999999)
6-Chloro-N,N-dipropylpyrimidin-4-amine
C10H16ClN3 (213.10326859999998)
PYRIDINE, 4-[5-(TRIFLUOROMETHYL)-1H-IMIDAZOL-2-YL]-
ETHYL 1,3-DIMETHYL-4-NITRO-1H-PYRAZOLE-5-CARBOXYLATE
2-CHLORO-5-ETHYLPYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
(S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid hydrochloride
4-Piperidinamine, 1-(2-pyridinyl)-, hydrochloride (1:1)
C10H16ClN3 (213.10326859999998)
4-(2-chloro-6-methylpyrimidin-4-yl)morpholine
C9H12ClN3O (213.06688519999997)
(R)-Cyclopropyl(4-methoxyphenyl)methanamine hydrochloride
C11H16ClNO (213.09203559999997)
5-(4-TRIFLUOROMETHYL-PHENYL)-3,4-DIHYDRO2H-PYRROLE
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylurea
C9H15N3OS (213.09357799999998)
N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine
C9H15N3OS (213.09357799999998)
6-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylamine hydrochloride
C11H16ClNO (213.09203559999997)
1-(4-CHLOROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ACETONITRILE
C11H16ClNO (213.09203559999997)
3-METHYL-4-NITRO-1-PROPYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carbaldehyde
3-Phenoxypiperidine hydrochloride (1:1)
C11H16ClNO (213.09203559999997)
3-(4-METHOXYPHENYL)PYRROLIDINE HYDROCHLORIDE
C11H16ClNO (213.09203559999997)
3-(3-Methoxyphenyl)pyrrolidine hydrochloride
C11H16ClNO (213.09203559999997)
METHYL 5-(2-METHOXY-2-OXOETHYL)-2-METHYLOXAZOLE-4-CARBOXYLATE
1-(4-CHLORO-PHENYL)-3-(3-HYDROXY-PHENYL)-PROPENONE
C11H16ClNO (213.09203559999997)
4-((2-Nitro-1H-imidazol-1-yl)methoxy)-2-buten-1-ol
2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid
6-Methyl-2-(phenylazo)-3-pyridinol
C12H11N3O (213.09020759999999)
SIB-1757 is a highly selective and noncompetitive antagonist of mGlu5 receptor with an IC50 of 0.4 μM[1].
Duazomycin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoic acid ethyl ester
Troxacitabine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D000970 - Antineoplastic Agents
chlorpropham
D006133 - Growth Substances > D010937 - Plant Growth Regulators D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
N-phenylanthranilic acid
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Benzyl nicotinate
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent Same as: D01419
Alanine, N-(6-amino-1,4-dihydro-4-oxo-1,3,5-triazin-2-yl)-2-methyl-
2-(Dihydroxyamino)-3-(4-hydroxyphenyl)propanoic acid
(1S,3aR,7aS)-4,4-dimethyl-6-oxo-1,2,3,3a,7,7a-hexahydropyrano[3,4-c]pyrrole-1-carboxylic acid
(2S,3R)-2-azaniumyl-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate
5-(Dimethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile
C12H11N3O (213.09020759999999)
N-Diazoacetylnorleucine methyl ester
A diazonium betaine obtained by the deprotonation of the hydroxy group of (Z)-2-hydroxy-2-{[(2S)-1-methoxy-1-oxohexan-2-yl]amino}ethenediazonium.
3-Methyl-4-(7-methyl-2-indolizinyl)-1,2,5-oxadiazole
C12H11N3O (213.09020759999999)
2-[Bis(2-hydroxyethyl)ammonio]ethanesulfonate
C6H15NO5S (213.06708999999998)
(2Z)-2-(2,6-dihydroxy-3,4-dimethoxycyclohexylidene)acetonitrile
N-(Chloromethyldimethylsilyl)-N-methylaniline
C10H16ClNSi (213.07404859999997)
2-(4-Phenylpyrimidin-2-yl)acetamide
C12H11N3O (213.09020759999999)
Arbaclofen
C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant (R)-Baclofen (Arbaclofen) is a selective GABAB receptor agonist[1].
Fenamic acid
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
6-hydroxy-L-dopa
An L-alpha-amino acid that is L-dopa carrying an additional hydroxy substituent at position 6.
GS26575
A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a methylsulfanyl group at position 6 and a tert-buty group at the amino nitrogen atom.
3,6-dihydroxy-4-methoxy-3-(2-oxopropyl)pyridin-2-one
(1r,5s)-3-hydroxy-1-(1-hydroxy-2-methylpropyl)-4-methyl-6-oxa-2-azabicyclo[3.2.0]hept-2-en-7-one
n-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]ethanimidic acid
(2s)-2-amino-3-(3,4,5-trihydroxyphenyl)propanoic acid
3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),7,9-pentaen-11-one
6-methoxy-2-methyl-β-carbolinium(cation)
{"Ingredient_id": "HBIN012504","Ingredient_name": "6-methoxy-2-methyl-\u03b2-carbolinium(cation)","Alias": "NA","Ingredient_formula": "C13H13N2O+","Ingredient_Smile": "C[N+]1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14001","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}