Exact Mass: 339.0677588000001
Exact Mass Matches: 339.0677588000001
Found 293 metabolites which its exact mass value is equals to given mass value 339.0677588000001,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Topiramate
C12H21NO8S (339.09878260000005)
Topiramate is an anticonvulsant drug used to treat epilepsy in both children and adults. In children it is also indicated for treatment of Lennox-Gastaut syndrome (a disorder that causes seizures and developmental delays). It is also Food and Drug Administration (FDA) approved, and now most frequently prescribed for, the prevention of migraines. It has been used by psychiatrists to treat bipolar disorder, although it is not FDA approved for this purpose and such use is somewhat controversial. This drug has been investigated for use in treatment of obesity, especially to aid in the reduction of binge eating, and also as a possible treatment for alcoholism. However, these uses are not actively promoted by the manufacturer, and like its use for bipolar disorder, are off-label uses. The drug is also used in clinical trials to treat Post Traumatic Stress Disorder. A pilot study suggests that Topiramate is possibly effective against infantile spasm; Chemically, topiramate is a sulfamate-substituted monosaccharide, related to fructose, a rather unusual chemical structure for an anticonvulsant. Topiramate is quickly absorbed after oral use. Most of the drug (70\\\%) is excreted in the urine as unchanged drug. The remainder is extensively metabolized by hydroxylation, hydrolysis, and glucuronidation. Six metabolites have been identified in humans, none of which constitutes more than 5\\\% of an administered dose. Topiramate enhances GABA-activated chloride channels. In addition, topiramate inhibits excitatory neurotransmission, through actions on kainate and AMPA receptors. There is evidence that topiramate has a specific effect on GluR5 kainate receptors. It is also an inhibitor of carbonic anhydrase, particularly subtypes II and IV, but this action is weak and unlikely to be related to its anticonvulsant actions, but may account for the bad taste and the development of renal stones seen during treatment. Its possible effect as a mood stabilizer seems to occur before anticonvulsant qualities at lower dosages. Topiramate inhibits maximal electroshock and pentylenetetrazol-induced seizures as well as partial and secondarily generalized tonic-clonic seizures in the kindling model, findings predictive of a broad spectrum of antiseizure activities clinically; Johnson. It is used to treat epilepsy in both children and adults. In children it is also indicated for treatment of Lennox-Gastaut syndrome (a disorder that causes seizures and developmental delays). It is also Food and Drug Administration (FDA) approved for, and now most frequently prescribed for, the prevention of migraines. It has been used by psychiatrists to treat bipolar disorder, although it is not FDA approved for this purpose and such use is somewhat controversial. This drug has been investigated for use in treatment of obesity, especially to aid in the reduction of binge eating, and also as a possible treatment for alcoholism. However, these uses are not actively promoted by the manufacturer, and like its use for bipolar disorder, are off-label uses. The drug is also used in clinical trials to treat Post Traumatic Stress Disorder. A pilot study suggests that Topiramate is possibly effective against infantile spasm. In May 2006 the U.S. National Institutes of Health web site clinicaltrials.gov listed several studies sponsored by Ortho-McNeil which propose to examine the use of topiramate on migraine, cluster, and severe headaches within various demographics; Topiramate (brand name: Topamax) is an anticonvulsant drug produced by Ortho-McNeil, a division of Johnson & Topiramate (brand name: Topamax) is an anticonvulsant drug produced by Ortho-McNeil, a division of Johnson & Johnson. It is used to treat epilepsy in both children and adults. In children it is also indicated for treatment of Lennox-Gastaut syndrome (a disorder that causes seizures and developmental delays). It is also Food and Drug Administration (FDA) approved for, and now most frequently prescribed for, the preventio... CONFIDENCE standard compound; INTERNAL_ID 395; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3585; ORIGINAL_PRECURSOR_SCAN_NO 3584 CONFIDENCE standard compound; INTERNAL_ID 395; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3597; ORIGINAL_PRECURSOR_SCAN_NO 3596 CONFIDENCE standard compound; INTERNAL_ID 395; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3586; ORIGINAL_PRECURSOR_SCAN_NO 3584 CONFIDENCE standard compound; INTERNAL_ID 395; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3591; ORIGINAL_PRECURSOR_SCAN_NO 3588 CONFIDENCE standard compound; INTERNAL_ID 395; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3659; ORIGINAL_PRECURSOR_SCAN_NO 3657 CONFIDENCE standard compound; INTERNAL_ID 395; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3594; ORIGINAL_PRECURSOR_SCAN_NO 3593 C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics D007004 - Hypoglycemic Agents Topiramate (McN 4853) is a broad-spectrum antiepileptic agent. Topiramate is a GluR5 receptor antagonist. Topiramate produces its antiepileptic effects through enhancement of GABAergic activity, inhibition of kainate/AMPA receptors, inhibition of voltage-sensitive sodium and calcium channels, increases in potassium conductance, and inhibition of carbonic anhydrase[1][2][3].
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid
C9H14N3O9P (339.04676440000003)
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid, also known as 1-(5-phosphoribosyl)-4-carboxy-5-aminoimidazole or 1-(5-phospho-D-ribosyl)-5-amino-4-imidazolecarboxylic acid, belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid is a very strong basic compound (based on its pKa). 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid exists in all living species, ranging from bacteria to humans. Within humans, 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid participates in a number of enzymatic reactions. In particular, 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid can be converted into 5-aminoimidazole ribonucleotide; which is mediated by the enzyme multifunctional protein ADE2. In addition, 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid and L-aspartic acid can be converted into SAICAR; which is mediated by the enzyme multifunctional protein ADE2. In humans, 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid is involved in the metabolic disorder called Lesch-Nyhan syndrome (LNS). Outside of the human body, 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid has been detected, but not quantified in, several different foods, such as ohelo berries, Chinese mustards, peach (var.), jackfruits, and saskatoon berries. This could make 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid a potential biomarker for the consumption of these foods. 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid is an intermediate in purine metabolism. 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid is converted from aminoimidazole ribotide via phosphoribosylaminoimidazole carboxylase (EC: 4.1.1.21). 5-amino-1-(5-phospho-D-ribosyl) imidazole-4-carboxylate is an intermediate in purine metabolism. 5-amino-1-(5-phospho-D-ribosyl) imidazole-4-carboxylate is converted from aminoimidazole ribotide via phosphoribosylaminoimidazole carboxylase [EC: 4.1.1.21]. [HMDB]. 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate is found in many foods, some of which are red raspberry, rapini, alpine sweetvetch, and european chestnut. COVID info from COVID-19 Disease Map D007004 - Hypoglycemic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Vulgaxanthin I
Vulgaxanthin I is found in common beet. Vulgaxanthin I is a yellow pigment from Beta species Vulgaxanthin I is a food colouran Yellow pigment from Beta subspecies Food colourant. Vulgaxanthin I is found in red beetroot, common beet, and root vegetables. D004396 - Coloring Agents > D050858 - Betalains
N5-Carboxyaminoimidazole ribonucleotide
C9H14N3O9P (339.04676440000003)
N5-Carboxyaminoimidazole ribonucleotide is an intermediate in purine nucleotides de novo biosynthesis. Purine nucleotides participate in many aspects of cellular metabolism including the structure of DNA and RNA, serving as enzyme cofactors, functioning in cellular signaling, acting as phosphate group donors, and generating cellular energy. Maintenance of the proper balance of intracellular pools of these nucleotides is critical to normal function. This occurs through a combination of de novo biosynthesis and salvage pathways for pre-existing purine bases, nucleosides and nucleotides. The de novo biosynthetic pathway for purine nucleotides is highly conserved among organisms, but its regulation and the organization of the genes encoding the enzymes vary. The fourteen step pathway contains ten steps that branch at inosine-5-phosphate to form adenosine-5-phosphate and guanosine-5-phosphate, each in two steps. [HMDB] N5-Carboxyaminoimidazole ribonucleotide is an intermediate in purine nucleotides de novo biosynthesis. Purine nucleotides participate in many aspects of cellular metabolism including the structure of DNA and RNA, serving as enzyme cofactors, functioning in cellular signaling, acting as phosphate group donors, and generating cellular energy. Maintenance of the proper balance of intracellular pools of these nucleotides is critical to normal function. This occurs through a combination of de novo biosynthesis and salvage pathways for pre-existing purine bases, nucleosides and nucleotides. The de novo biosynthetic pathway for purine nucleotides is highly conserved among organisms, but its regulation and the organization of the genes encoding the enzymes vary. The fourteen step pathway contains ten steps that branch at inosine-5-phosphate to form adenosine-5-phosphate and guanosine-5-phosphate, each in two steps.
Phenoxybenzamine HCl
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 > D014665 - Vasodilator Agents Phenoxybenzamine hydrochloride is a nonselective, irreversible, orally active α-adrenoceptor antagonist that is commonly used for the research of hypertension, specifically caused by pheochromocytoma. Phenoxybenzamine hydrochloride also shows antitumor activity[1][2].
1-(4-Hydroxy-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide
N-(1-Deoxy-b-D-fructopyranosyl) (R)C(S)S-alliin
C12H21NO8S (339.09878260000005)
N-(1-Deoxy-b-D-fructopyranosyl) (R)C(S)S-alliin is found in onion-family vegetables. N-(1-Deoxy-b-D-fructopyranosyl) (R)C(S)S-alliin is isolated from garlic (Allium sativum). Isolated from garlic (Allium sativum) [DFC]. N-(1-Deoxy-b-D-fructopyranosyl) (R)C(S)S-alliin is found in garlic and onion-family vegetables.
1-Hydroxyrutacridone epoxide
1-Hydroxyrutacridone epoxide is an alkaloid from the callus tissue of Ruta graveolens (rue). Alkaloid from the callus tissue of Ruta graveolens (rue).
Rutagravine
Rutagravine is found in herbs and spices. Rutagravine is an alkaloid from the callus tissue of Ruta graveolens (rue). Alkaloid from the callus tissue of Ruta graveolens (rue). Rutagravine is found in herbs and spices.
6-Hydroxy-5-methoxyindole glucuronide
6-Hydroxy-5-methoxyindole glucuronide is a natural human metabolite of 6-hydroxy-5-methoxyindole generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. [HMDB] 6-Hydroxy-5-methoxyindole glucuronide is a natural human metabolite of 6-hydroxy-5-methoxyindole generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys.
5-Hydroxy-6-methoxyindole glucuronide
5-Hydroxy-6-methoxyindole glucuronide is a natural human metabolite of 5-hydroxy-6-methoxyindole generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. 5-Hydroxy-6-methoxyindole glucuronide is a natural human metabolite of 5-hydroxy-6-methoxyindole generated in the liver by UDP glucuonyltransferase.
Cefacetrile
C13H13N3O6S (339.05250380000007)
Cefacetrile is only found in individuals that have used or taken this drug. It is a derivative of 7-aminocephalosporanic acid.In vitro tests demonstrate that the bactericidal action of cephalosporins results from inhibition of cell wall synthesis. By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, it inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DB - First-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
20-Hydroxyrutacridone epoxide
20-Hydroxyrutacridone epoxide is found in herbs and spices. 20-Hydroxyrutacridone epoxide is an alkaloid from the roots and callus tissue cultures of Ruta graveolens (rue). Alkaloid from the roots and callus tissue cultures of Ruta graveolens (rue). 20-Hydroxyrutacridone epoxide is found in herbs and spices.
5-Phosphoribosyl-4-carboxy-5-aminoimidazole
C9H14N3O9P (339.04676440000003)
5-Phosphoribosyl-4-carboxy-5-aminoimidazole is also known as AICA Ribonucleotide, (D-ribofuranosyl)-isomer or AICAR. 5-Phosphoribosyl-4-carboxy-5-aminoimidazole is considered to be slightly soluble (in water) and acidic D007004 - Hypoglycemic Agents
Glutathione thiol
glutamine-betaxanthin
D004396 - Coloring Agents > D050858 - Betalains
6-hydroxyindole-3-carboxylic acid beta-D-glucopyranosyl ester
6-hydroxyindole-3-carboxylic acd 6-O-beta-D-glucopyranoside
Mesotrione
CONFIDENCE standard compound; EAWAG_UCHEM_ID 258 CONFIDENCE standard compound; INTERNAL_ID 3180
2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxylic acid
2-Hydroxy-1,9-dimethoxy-4-oxo-4,5-dihydrodibenzo[cd,f]indole-3-carboxylic acid
(R)-2-Acetamino-3-(anthryl-(1)-mercapto)-propionsaeure|N-Acetyl-S-[1]anthryl-cystein|N-acetyl-S-[1]anthryl-cysteine|S-(Anthryl-(1))-N-acetyl-L-cystein
desulfo-5-methylsulfanylpentyl GL|desulfoglucoberteroin|DS-GBE
5,6-dihydro-3,10-dihydroxy-9,11-dimethoxy-8H-dibenzo[a,g]quinolizine-8-one|pendulamine B
2-(7-Methoxy-1,3-benzodioxol-5-yl)-8-methoxy-1-methylquinolin-4(1H)-one
3-(1,1-Dimethoxy-2-oxoethoxy)-9,10-dihydro-1-methoxy-9-oxo-4-acridinecarboxaldehyde
Topiramate
C12H21NO8S (339.09878260000005)
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics D007004 - Hypoglycemic Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3635 Topiramate (McN 4853) is a broad-spectrum antiepileptic agent. Topiramate is a GluR5 receptor antagonist. Topiramate produces its antiepileptic effects through enhancement of GABAergic activity, inhibition of kainate/AMPA receptors, inhibition of voltage-sensitive sodium and calcium channels, increases in potassium conductance, and inhibition of carbonic anhydrase[1][2][3].
Phosphoribosyl carboxyaminoimidazole
C9H14N3O9P (339.04676440000003)
N5-carboxyaminoimidazole ribonucleotide
C9H14N3O9P (339.04676440000003)
Cefacetrile
C13H13N3O6S (339.05250380000007)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DB - First-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Rutagravine
1-Hydroxyrutacridone epoxide
20-Hydroxyrutacridone epoxide
N-(1-Deoxy-b-D-fructopyranosyl) (R)C(S)S-alliin
C12H21NO8S (339.09878260000005)
1-(4-PHENYL-THIAZOL-2-YL)-5-TRIFLUOROMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
C14H8F3N3O2S (339.02893040000004)
Mofezolac
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
1-phenyl-7-pyridin-3-yl-5-(trifluoromethyl)benzimidazole
1-benzyl-3-methyl 6-methoxyindole-1,3-dicarboxylate
4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxyquinazolin-7-ol
3-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-3-buten-2-one
2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoic acid
C15H14ClNO4S (339.03320340000005)
2-[N-(P-CHLOROPHENYL)CARBAMOYL]-3-NAPHTHYL ACETATE
C19H14ClNO3 (339.06621640000003)
ETHYL 5-HYDROXY-8-(2-METHOXYETHYL)-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
C14H17N3O5S (339.08888720000004)
3-CHLORO-5-[[(ETHOXYCARBONYL)AMINO]SULFONYL]-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID, ETHYL ESTER
METHYL 4-CHLORO-2-(N-METHYL-N-PHENYLSULFAMOYL)BENZOATE
C15H14ClNO4S (339.03320340000005)
Methyl 2-[[4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]thio]acetate
6-(2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-1-YL)HEXANEHYDRAZIDE 2,2,2-TRIFLUOROACETATE
C12H16F3N3O5 (339.10420020000004)
N-benzyl-1-[2-(bromomethyl)-1,3-dioxolan-2-yl]cyclopropane-1-carboxamide
1-(ISOCYANO(TOSYL)METHYL)-3-(TRIFLUOROMETHYL)BENZENE
(4-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid
C13H15BBrNO4 (339.02774400000004)
Pumosetrag Hydrochloride
C15H18ClN3O2S (339.08081980000003)
Pumosetrag Hydrochloride (MKC-733; DDP-733) is an orally available 5-HT3 partial agonist developed for the treatment of irritable bowel syndrome and gastroesophageal reflux disease.
3-Bromo-5-(1-(2,2-diethoxyethyl)-1H-imidazol-2-yl)pyridine
2-(3-Hydroxyquinolin-2-yl)-cyclopentabnaphthalene-1,3-dione
Cyprazepam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine hydrochloride
C17H16Cl3N (339.03482660000003)
3-(3-(4-(2-METHOXYETHOXY)PHENYL)ISOXAZOL-5-YL)BENZOIC ACID
ETHYL4-CHLORO-6-METHOXY-7-(2-METHOXYETHOXY)QUINOLINE-3-CARBOXYLATE
C16H18ClNO5 (339.08734480000004)
5-Chloro-2-[[(4-methylphenyl)sulfonyl]amino]benzoic acid methyl ester
C15H14ClNO4S (339.03320340000005)
(R)-3-((BENZYLOXY)AMINO)-4-(2,4,5-TRIFLUOROPHENYL)BUTANOIC ACID
5-Bromo-N-Boc-indol-2-boronic acid
C13H15BBrNO4 (339.02774400000004)
2-Methyl-2-propanyl (3S)-3-(4-bromophenyl)-1-piperidinecarboxylate
1-[(8-chloro-1-naphthyl)sulfonyl]proline
C15H14ClNO4S (339.03320340000005)
4-CARBOXY-7-CHLORO-2-(ETHOXYCARBONYL)INDOLE-3-PROPANOIC ACID
DIETHYL 2-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]MALONATE
C13H13ClF3NO4 (339.04851640000004)
N-(5-iminobenzo[a]phenoxazin-9-yl)acetamide,hydrochloride
C18H14ClN3O2 (339.07744940000003)
1-(4-TRIFLUOROMETHYLPHENYL)-1-TOSYL]METHYLISOCYANIDE
(6-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid
C13H15BBrNO4 (339.02774400000004)
2-(3-BENZYLOXY-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
2-(4-BENZYLOXY-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
2-[3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPOXY]-BENZOIC ACID METHYL ESTER
Iofetamine hydrochloride I-123
V - Various > V09 - Diagnostic radiopharmaceuticals > V09A - Central nervous system > V09AB - Iodine (123i) compounds D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D019275 - Radiopharmaceuticals C1446 - Radiopharmaceutical Compound
Benthiavalicarb
C15H18FN3O3S (339.1052850000001)
D016573 - Agrochemicals D010575 - Pesticides
2-Amino-6-[4-(6-chloropyridin-2-yl)piperazin-1-yl]pyridine-3,5-dicarbonitrile
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylic acid
C18H13NO4S (339.05652580000003)
3-[5-(2-furanyl)-1H-pyrazol-3-yl]-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
C16H13N5O2S (339.07899180000004)
1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethoxyindole-2,3-dione
Pacific Blue succinimidyl ester
An N-hydroxysuccinimide ester derived from 6,8-difluoro-7-hydroxycoumarin-3-carboxylic acid (pacific blue). A fluorescent dye of excitation wavelength 403 nm and emission wavelength 455 nm.
4-[5-(carboxymethyl)-4-phenyl-1,3-thiazol-2-yl]benzoic Acid
C18H13NO4S (339.05652580000003)
4-Methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine
3-[[2-(6-Methoxy-3-benzofuranyl)-1-oxoethyl]amino]benzoic acid methyl ester
3-[[(3-Methoxyphenyl)-oxomethyl]amino]-2-benzofurancarboxylic acid ethyl ester
2-[4-[(4-Fluorophenyl)sulfonyl-methylamino]phenoxy]acetic acid
2-(2-fluorophenyl)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
C18H14FN3OS (339.08415660000003)
4-[(5-chlorothiophen-2-yl)methyl]-N-[(furan-2-yl)methyl]piperazine-1-carboxamide
C15H18ClN3O2S (339.08081980000003)
(2r,3r,4r,5r)-4,5-Dihydroxy-2-(Hydroxymethyl)-6-Oxopiperidin-3-Yl Beta-D-Glucopyranoside
versicolorin B(1-)
A phenolate anion obtained by deprotonation of the 8-hydroxy group of versicolorin B. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole
C9H14N3O9P (339.04676440000003)
A 1-(phosphoribosyl)imidazole having the phospho group at the 5-position and a carboxyamino group at the 5-position on the imidazole ring.
5-Hydroxycytidine 5-(Dihydrogen Phosphate)
C9H14N3O9P (339.04676440000003)
N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]-3-pyrazolecarboxamide
5-(1-Ethyl-3-methyl-4-pyrazolyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid
3-[1-(4-Acetylphenyl)-5-thiophen-2-yl-2-pyrrolyl]propanoic acid
3-(Dimethylamino)benzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
1-[3-(Dimethylsulfamoyl)phenyl]-3-(2-furanylmethyl)thiourea
C14H17N3O3S2 (339.07112920000003)
1,3-Dimethyl-6-(4-morpholinylsulfonyl)quinazoline-2,4-dione
C14H17N3O5S (339.08888720000004)
2-[[4-(2,4-Dimethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide
N-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide
N-[anilino(oxo)methyl]-2-methoxy-4-(trifluoromethyl)-3-pyridinecarboxamide
C15H12F3N3O3 (339.08307179999997)
4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
3-(3-bromo-4-methoxyphenyl)-N,N-diisopropylacrylamide
Methyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-oxolanecarboxamide
N-(5-methyl-7-phenyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-thiophenecarboxamide
3,4-dimethoxy-N-[3-(methylthio)phenyl]benzenesulfonamide
1-(3-Chloro-4-fluorophenyl)-4-[(4-methyl-1-piperazinyl)-oxomethyl]-2-pyrrolidinone
1-methyl-2-oxo-N-(2-pyridinyl)-6-benzo[cd]indolesulfonamide
C17H13N3O3S (339.0677588000001)
2-Thiophen-2-yl-4-quinolinecarboxylic acid (2-oxo-3-oxolanyl) ester
C18H13NO4S (339.05652580000003)
1-(3-Pyridinylmethyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
C15H12F3N3O3 (339.08307179999997)
2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylacrylamide
C17H13N3O3S (339.0677588000001)
N-(4,5-dihydrothiazol-2-yl)-2-thiophen-2-yl-4-quinolinecarboxamide
3-(Phenoxymethyl)-2-benzofurancarboxylic acid (1-amino-1-oxopropan-2-yl) ester
5-[(2-Chlorophenyl)methylamino]-2-(4-methoxyphenyl)-4-oxazolecarbonitrile
C18H14ClN3O2 (339.07744940000003)
N-(3,4-dimethylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide
3-(1-Benzotriazolylmethyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-2-piperazinyl]-N-prop-2-enylacetamide
[(2R,3S,4R,5R)-5-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
C9H11FN3O8P-2 (339.02677880000005)
N-[(E)-(2-Bromophenyl)methylideneamino]-4-methylquinolin-2-amine
C17H14BrN3 (339.03710240000004)
(E)-1,1,1-trifluoro-4-hydroxy-3-[(4-methylphenyl)iminomethyl]-4-thiophen-2-ylbut-3-en-2-one
6-(D-glucosyloxy)indole-3-carboxylic acid
An indolyl carbohydrate that is 6-hydroxyindole-3-carboxylic acid in which the hydroxy group is substituted by a D-glucosyl residue.
Rhamnogalacturonan I
D000074385 - Food Ingredients > D005503 - Food Additives > D010368 - Pectins
D-glucosyl 6-hydroxyindole-3-carboxylate
An O-acyl carbohydrate obtained by formal condensation of the carboxy group of 6-hydroxyindole-3-carboxylic acid with the anomeric hydroxy group of D-glucose.
2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
C16H13N5O4 (339.09674980000005)
Imino(methyl)phenyl-lambda4-sulfane 2,4,6-trimethylbenzenesulfonic acid
1-[(1S,2S)-2-[(3-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]triazole
Carboxyaminoimidazole ribotide
C9H14N3O9P (339.04676440000003)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
5-Phosphoribosyl-4-carboxy-5-aminoimidazole
C9H14N3O9P (339.04676440000003)
D007004 - Hypoglycemic Agents
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid
C9H14N3O9P (339.04676440000003)
VU0238441
VU0238441 is a pan muscarinic acetylcholine receptor (mAChR) positive allosteric modulator (PAM) with EC50s of 3.2 μM, 2.8 μM, 2.2 μM, 2.1 μM, >10 μM for M1, M2, M3, M5 and M4, respectively[1][2].
3,10-dihydroxy-2,4-dimethoxy-7,8-dihydro-6-azatetraphen-5-one
(1r,12s)-23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.0²,¹⁰.0⁴,⁸.0¹³,²¹.0¹⁵,¹⁹]tricosa-2,4(8),9,13,15(19),20-hexaen-1-ol
(1r,24r)-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-2,4(8),9,15,20,22-hexaen-24-ol
17-hydroxy-16-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15(20),16,18-hexaen-14-one
6,7,11-trihydroxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one
6-{[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h-indole-3-carboxylic acid
23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.0²,¹⁰.0⁴,⁸.0¹³,²¹.0¹⁵,¹⁹]tricosa-2,4(8),9,13,15(19),20-hexaen-1-ol
4,5,16-trimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.0³,⁸.0¹³,¹⁷]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one
4-(2-{[1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]imino}ethylidene)-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid
3-(1h-indol-3-yl)-7-(methyldisulfanyl)cyclohepta[b]furan-2-one
6,7,8,14-tetramethoxy-2-azatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-13-ol
(?)-12-hydroxycrychine
{"Ingredient_id": "HBIN000876","Ingredient_name": "(?)-12-hydroxycrychine","Alias": "NA","Ingredient_formula": "C19H17NO5","Ingredient_Smile": "CN1C2CC3=CC4=C(C=C3C1(CC5=CC6=C(C=C25)OCO6)O)OCO4","Ingredient_weight": "339.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9946","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101148425","DrugBank_id": "NA"}
(—)-8-oxotetrahydrothalifendine
{"Ingredient_id": "HBIN013874","Ingredient_name": "(\u2014)-8-oxotetrahydrothalifendine","Alias": "NA","Ingredient_formula": "C19H17NO5","Ingredient_Smile": "COC1=C(C=CC2=C1C(=O)N3CCC4=CC5=C(C=C4C3C2)OCO5)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38245","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aristolactam c ii; 9-methoxy
{"Ingredient_id": "HBIN016770","Ingredient_name": "aristolactam c ii; 9-methoxy","Alias": "NA","Ingredient_formula": "C19H17NO5","Ingredient_Smile": "NA","Ingredient_weight": "339.34","OB_score": "NA","CAS_id": "106283-32-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6674","PubChem_id": "NA","DrugBank_id": "NA"}
aristolactam c ii; 9-methoxy,1'-carboxylic acid,o2-de-me
{"Ingredient_id": "HBIN016771","Ingredient_name": "aristolactam c ii; 9-methoxy,1'-carboxylic acid,o2-de-me","Alias": "NA","Ingredient_formula": "C18H13NO6","Ingredient_Smile": "NA","Ingredient_weight": "339.3","OB_score": "NA","CAS_id": "106283-35-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6673","PubChem_id": "NA","DrugBank_id": "NA"}
6-{2h-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl}-2,3-dimethoxyphenol
(2r)-8-hydroxy-10,15-dimethoxy-4-methyl-5-azapentacyclo[10.5.0.0²,⁵.0⁴,⁶.0⁶,¹¹]heptadeca-1(17),7,10,12,14-pentaene-9,16-dione
(2s,4e)-4-[(2z)-2-{[(1r)-1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]imino}ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid
(1s)-17-hydroxy-16-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15(20),16,18-hexaen-14-one
(1r,12r,13s)-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol
(1s,12s,13r)-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol
5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol
(12s)-17-methoxy-4,6,19,21-tetraoxa-13-azahexacyclo[10.10.1.0²,¹⁰.0³,⁷.0¹⁶,²³.0¹⁸,²²]tricosa-1(23),2(10),3(7),8,16,18(22)-hexaene
17-methoxy-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.0²,¹⁰.0⁴,⁸.0¹⁶,²³.0¹⁸,²²]tricosa-1(23),2,4(8),9,16,18(22)-hexaene
(13r)-7-methoxy-13-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,11,14,16,18-heptaene-13,16-diol
4,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),4,8,13(17),14-hexaene-3,6-dione
6,7-dimethoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,¹⁰.0³,⁸.0¹⁵,¹⁹]icosa-1(20),3,5,7,13,15(19)-hexaen-9-one
8-methoxy-2-(7-methoxy-2h-1,3-benzodioxol-5-yl)-1-methylquinolin-4-one
(4e)-4-(2-{[1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]imino}ethylidene)-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid
5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-2,4(8),9,15,20,22-hexaen-24-ol
(2r)-6,7-dimethoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,¹⁰.0³,⁸.0¹⁵,¹⁹]icosa-1(20),3,5,7,13,15(19)-hexaen-9-one
16-hydroxy-4,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),4,8,13(17),14-hexaene-3,6-dione
6,8,14,15-tetramethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaen-11-ol
(12s)-17-methoxy-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.0²,¹⁰.0⁴,⁸.0¹⁶,²³.0¹⁸,²²]tricosa-1(23),2,4(8),9,16,18(22)-hexaene
(12s)-17-hydroxy-18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaene-11-carbaldehyde
ethyl 3-{6-oxo-9h-[1,3]dioxolo[4,5-j]phenanthridin-5-yl}propanoate
3-methanesulfinyl-n-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)prop-2-enimidic acid
C12H21NO8S (339.09878260000005)
(1s)-16-hydroxy-17-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaen-14-one
6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h-indole-3-carboxylic acid
(2s)-6,11-dihydroxy-2-(hydroxymethyl)-2,5-dimethyl-1-oxa-5-azatetraphen-10-one
(4z)-4-(2-{[1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]imino}ethylidene)-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid
(2s,4z)-4-[(2e)-2-{[(1r)-1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]imino}ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid
6,11-dihydroxy-2-(hydroxymethyl)-2,5-dimethyl-1-oxa-5-azatetraphen-10-one
(2e)-3-methanesulfinyl-n-(2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)prop-2-enimidic acid
C12H21NO8S (339.09878260000005)
3-(2h-1,3-benzodioxol-5-yl)-n-[2-(2h-1,3-benzodioxol-5-yl)ethyl]prop-2-enimidic acid
(12r)-17-methoxy-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.0²,¹⁰.0⁴,⁸.0¹⁶,²³.0¹⁸,²²]tricosa-1(23),2,4(8),9,16,18(22)-hexaene
6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h-indole-3-carboxylic acid
3,11-dihydroxy-2,10-dimethoxy-7,8-dihydro-6-azatetraphen-5-one
methyl 4-{6-oxo-9h-[1,3]dioxolo[4,5-j]phenanthridin-5-yl}butanoate
(2e)-3-[(r)-methanesulfinyl]-n-(2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)prop-2-enimidic acid
C12H21NO8S (339.09878260000005)
6,11-dihydroxy-6,20-dimethyl-4,8-dioxa-20-azapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
4,5-dimethoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,¹⁰.0³,⁸.0¹⁵,¹⁹]icosa-1(20),3,5,7,13,15(19)-hexaen-9-one
(2e)-3-[(s)-methanesulfinyl]-n-(2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)prop-2-enimidic acid
C12H21NO8S (339.09878260000005)
