Exact Mass: 359.11575220000003

Exact Mass Matches: 359.11575220000003

Found 352 metabolites which its exact mass value is equals to given mass value 359.11575220000003, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Penthiopyrad

C16H20F3N3OS (359.12791060000006)

Capecitabine

pentyl N-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl}carbamate

C15H22FN3O6 (359.1492564)

Capecitabine is an orally-administered chemotherapeutic agent used in the treatment of metastatic breast and colorectal cancers. Capecitabine is a prodrug, that is enzymatically converted to fluorouracil (antimetabolite) in the tumor, where it inhibits DNA synthesis and slows growth of tumor tissue. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite CONFIDENCE standard compound; EAWAG_UCHEM_ID 2845 D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Capecitabine is an oral proagent that is converted to its active metabolite, 5-FU, by thymidine phosphorylase.

Rabeprazole

1H-Benzimidazole, 2-(((4-(3-methoxypropoxy)-3-methyl-2-pyridinyl)methyl)sulfinyl)-, sodium salt

C18H21N3O3S (359.13035560000003)

Rabeprazole is a proton pump inhibitor sold (as its sodium salt) under the brand names Aciphex and Pariet (distributed by Janssen-Cilag); Rabeprazole is a proton pump inhibitor sold (as its sodium salt) and it is used in the treatment of gastric ulcers and GERD (or heartburn). It is taken once a day along with a full glass of water (preferable 30 min before breakfast). [HMDB] Rabeprazole is a proton pump inhibitor sold (as its sodium salt) under the brand names Aciphex and Pariet (distributed by Janssen-Cilag); Rabeprazole is a proton pump inhibitor sold (as its sodium salt) and it is used in the treatment of gastric ulcers and GERD (or heartburn). It is taken once a day along with a full glass of water (preferable 30 min before breakfast). A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors

SYNNEMATIN B

Isopenicillin N

C14H21N3O6S (359.1151006)

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

Triglochinin

(2E,4E)-4-[cyano({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methylidene]hex-2-enedioic acid

C14H17NO10 (359.08524220000004)

Isotriglochinin is found in green vegetables. Isotriglochinin is a constituent of the famine food Alocasia macrorrhiza (wild taro). Constituent of the famine food Alocasia macrorrhiza (wild taro). Triglochinin is found in green vegetables.

Crinasiatine

C22H17NO4 (359.11575220000003)

Grepafloxacin

(+--)-1-Cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid monohydrochloride

C19H22FN3O3 (359.16451140000004)

Grepafloxacin hydrochloride (Raxar®, Glaxo Wellcome) is an oral broad-spectrum quinoline antibacterial agent used to treat bacterial infections. Grepafloxacin was withdrawn in the United States due to its side effect of lengthening the QT interval on the electrocardiogram, leading to cardiac events and sudden death. [Wikipedia] J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors ATC code: J01MA11

Quinoline-3-carboxamides

1-(4-Fluorophenyl)-4-oxo-7-(4-pyridyl)quinoline-3-carboxamide

C21H14FN3O2 (359.1069996)

TRIBOA-glucoside

2,4,7-Trihydroxy-2H-1,4-benzoxazin-3(4H)-one-glucoside

C14H17NO10 (359.08524220000004)

Clethodim

C17H26ClNO3S (359.1321836000001)

D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

Boniva

Ibandronate sodium

C9H24NNaO8P2 (359.08748039999995)

C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates

Adicillin

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-

C14H21N3O6S (359.1151006)

YM-90709

5,6-Dihydro-2,3-dimethoxy-6,6-dimethylbenz[7,8]indolizino[2,3-B]quinoxaline

C22H21N3O2 (359.1633686)

Enrofloxacin

1-Cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid, 9ci

C19H22FN3O3 (359.16451140000004)

Enrofloxacin is a veterinary antibacterial agent, used in poultry. Enrofloxacin is a fluoroquinolone antibiotic sold by the Bayer Corporation under the trade name Baytril(r). Enrofloxacin is currently FDA-approved for treatment of individual pets and domestic animals in the United States. In September 2005, the FDA withdrew approval of Baytril for use in water to treat flocks of poultry, as this practice was noted to promote the evolution of fluoroquinolone-resistant strains of the bacterium Campylobacter, a human pathogen. Fluoroquinolones such as ciprofloxacin are widely used in the treatment of human disease. Enrofloxacin is a synthetic chemotherapeutic agent from the class of the fluoroquinolone carboxylic acid derivatives. It has antibacterial activity against a broad spectrum of Gram-negative and Gram-positive bacteria. Its mechanism of action is not thoroughly understood, but it is believed to act by inhibiting bacterial DNA gyrase (a type-II topoisomerase), thereby preventing DNA supercoiling and DNA synthesis. It is a bactericidal agent. The bactericidal activity of enrofloxacin is concentration dependent, with susceptible bacteria cell death occurring within 20-30 minutes of exposure. Enrofloxacin has demonstrated a significant post-antibiotic effect for both Gram-negative and Gram-positive bacteria and is active in both stationary and growth phases of bacterial replication. http://www.fda.gov/cvm/Documents/baytrilDDL.pdf is a broken lin D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic

Clovamide

3-(3,4-Dihydroxyphenyl)-2-{[(2Z)-3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}propanoate

C18H17NO7 (359.1004972)

(S,Z)-Clovamide is found in herbs and spices. (S,Z)-Clovamide is isolated from Trifolium pratense (red clover). A polyphenol compound found in foods of plant origin (PhenolExplorer)

Gravacridonechlorine

2-(1-Chloro-2-hydroxy-1-methylethyl)-1,11-dihydro-5-hydroxy-11-methylfuro[2,3-c]acridin-6(2H)-one

C19H18ClNO4 (359.09242980000005)

Gravacridonechlorine is found in herbs and spices. Gravacridonechlorine is an alkaloid from Ruta graveolens (rue

Romucosine B

Methyl 14-chloro-15-hydroxy-16-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaene-10-carboxylic acid

C19H18ClNO4 (359.09242980000005)

Romucosine B is found in alcoholic beverages. Romucosine B is an alkaloid from Rollinia mucosa (biriba). Alkaloid from Rollinia mucosa (biriba). Romucosine B is found in alcoholic beverages and fruits.

N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid

C19H21NO6 (359.13688060000004)

Isogravacridonechlorine

2-(2-Chloro-1-hydroxy-1-methylethyl)-1,11-dihydro-5-hydroxy-11-methylfuro[2,3-c]acridin-6(2H)-one

C19H18ClNO4 (359.09242980000005)

Isogravacridonechlorine is found in herbs and spices. Isogravacridonechlorine is an alkaloid from Ruta graveolens (rue

Epinephrine glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{2-hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenoxy}oxane-2-carboxylic acid

C15H21NO9 (359.1216256)

Epinephrine glucuronide is a natural human metabolite of epinephrine 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. Epinephrine glucuronide is a natural human metabolite of epinephrine generated in the liver by UDP glucuonyltransferase.

Avenanthramide 2s

5-Hydroxy-2-{[(2E)-1-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-ylidene]amino}benzoate

C18H17NO7 (359.1004972)

Avenanthramide 2s is a polyphenol compound found in foods of plant origin (PMID: 20428313)

L-DOPA 3'-glucoside

2-amino-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoic acid

C15H21NO9 (359.1216256)

L-DOPA 3-glucoside is found in pulses. L-DOPA 3-glucoside is isolated from Pisum sativum (peas) and Vicia fab Isolated from Pisum sativum (peas) and Vicia faba. L-DOPA 3-glucoside is found in pulses and common pea.

Avenanthramide 2

5-hydroxy-2-[(E)-[(2E)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-ylidene]amino]-4-methoxybenzoic acid

C18H17NO7 (359.1004972)

Avenanthramide 2 is found in cereals and cereal products. Avenanthramide 2 is a constituent of Avena sativa (oat). Constituent of Avena sativa (oat). Avenanthramide 2 is found in oat and cereals and cereal products.

N-Desmethyl-O-hydroxy rosiglitazone

5-[(4-{2-[(3-hydroxypyridin-2-yl)amino]ethoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione

C17H17N3O4S (359.09397220000005)

N-Desmethyl-O-hydroxy rosiglitazone is a metabolite of rosiglitazone. Rosiglitazone is an antidiabetic drug in the thiazolidinedione class of drugs. It works as an insulin sensitizer, by binding to the PPAR receptors in fat cells and making the cells more responsive to insulin. It is marketed by the pharmaceutical company GlaxoSmithKline (GSK) as a stand-alone drug (Avandia) and in combination with metformin (Avandamet) or with glimepiride (Avandaryl). Annual sales peaked at approximately $2.5bn in 2006, but declined after reports of adverse effects. (Wikipedia)

N-Desmethyl-p-hydroxyrosiglitazone

5-[(4-{2-[(5-hydroxypyridin-2-yl)amino]ethoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione

C17H17N3O4S (359.09397220000005)

N-Desmethyl-p-hydroxyrosiglitazone is a metabolite of rosiglitazone. Rosiglitazone is an antidiabetic drug in the thiazolidinedione class of drugs. It works as an insulin sensitizer, by binding to the PPAR receptors in fat cells and making the cells more responsive to insulin. It is marketed by the pharmaceutical company GlaxoSmithKline (GSK) as a stand-alone drug (Avandia) and in combination with metformin (Avandamet) or with glimepiride (Avandaryl). Annual sales peaked at approximately $2.5bn in 2006, but declined after reports of adverse effects. (Wikipedia)

(6S)-6,7-Dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-5H-imidazo[2,1-b][1,3]oxazine

C14H12F3N3O5 (359.0729018)

Binfloxacin

7-{1,4-diazabicyclo[3.2.2]nonan-4-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

C19H22FN3O3 (359.16451140000004)

C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic

(S)-2-Biphenyl-4-yl-1-(1H-tetrazol-5-yl)ethylaminomethyl phosphonic acid

{[(2-{[1,1-biphenyl]-4-yl}-1-(2H-1,2,3,4-tetrazol-5-yl)ethyl)amino]methyl}phosphonic acid

C16H18N5O3P (359.11472080000004)

Chlorambucil-tertiary butyl ester

tert-butyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate

C18H27Cl2NO2 (359.1418742)

D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds

Clethodim

2-((1E)-N-(((2E)-3-Chloro-2-propen-1-yl)oxy)propanimidoyl)-5-(2-(ethylsulfanyl)propyl)-3-hydroxy-2-cyclohexen-1-one

C17H26ClNO3S (359.1321836000001)

Norprochlorperazine

2-chloro-10-[3-(piperazin-1-yl)propyl]-10H-phenothiazine

C19H22ClN3S (359.12228820000007)

Isopenicillin N

6-[(5-Amino-5-carboxy-1-hydroxypentylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

C14H21N3O6S (359.1151006)

Oxodipine

3-Ethyl 5-methyl 4-(2H-1,3-benzodioxol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

C19H21NO6 (359.13688060000004)

(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid

C17H17N3O6 (359.1117302)

2-amino-4,6-dinitrotoluene glucoside

2-(hydroxymethyl)-6-[(2-methyl-3,5-dinitrophenyl)amino]oxane-3,4,5-triol

C13H17N3O9 (359.0964752)

2-amino-4,6-dinitrotoluene glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-amino-4,6-dinitrotoluene glucoside can be found in a number of food items such as abalone, common verbena, durian, and burbot, which makes 2-amino-4,6-dinitrotoluene glucoside a potential biomarker for the consumption of these food products.

4-amino-2,6-dinitrotoluene glucoside

2-(hydroxymethyl)-6-[(4-methyl-3,5-dinitrophenyl)amino]oxane-3,4,5-triol

C13H17N3O9 (359.0964752)

4-amino-2,6-dinitrotoluene glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 4-amino-2,6-dinitrotoluene glucoside can be found in a number of food items such as yellow zucchini, garden onion (variety), jerusalem artichoke, and mung bean, which makes 4-amino-2,6-dinitrotoluene glucoside a potential biomarker for the consumption of these food products.

ARCYRIARUBIN C

C20H13N3O4 (359.09060180000006)

Leuconicine C

C22H21N3O2 (359.1633686)

Lutessine

Ungiminorine 1-acetate

C19H21NO6 (359.13688060000004)

(6S)-6,7-Dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-5H-imidazo[2,1-b][1,3]oxazine

C14H12F3N3O5 (359.0729018)

malbranpyrrole D

C20H22ClNO3 (359.1288132000001)

(+)-10,11-dioxoepierythratidine

C19H21NO6 (359.13688060000004)

N3-Ac-Polyoxin C

C13H17N3O9 (359.0964752)

N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

C19H21NO6 (359.13688060000004)

6-Aethansulfinyl-3-methoxy-17-methyl-morphina-5,7-dien-4-ol|6-ethanesulfinyl-3-methoxy-17-methyl-morphina-5,7-dien-4-ol

C20H25NO3S (359.15550600000006)

2-Butyl-5-methoxy-7-phenyl-1H-benzo[de]isoquinoline-1,6(2H)-dione

C23H21NO3 (359.15213560000007)

C14H17NO10

C14H17NO10 (359.08524220000004)

2,3-dimethoxy-14-methylindolo[2,3:3,4]pyrido[2,1-b]quinazolin-5(14h)-one

C21H17N3O3 (359.12698520000004)

SCHEMBL5598789

C17H21N5O4 (359.15934660000005)

CHEMBL222221

C23H21NO3 (359.15213560000007)

C22H21N3O2

C22H21N3O2 (359.1633686)

3-O-acetylungiminorine|3-O-Acetylungminorine|ungiminorine acetate

C19H21NO6 (359.13688060000004)

(+)-(5R,6R)-5-carbamoyl-6,5-(2,1-O-beta-D-glucopyranosyloxy)-4-methoxy-1-methyl-5,6-dihydro-2-pyridone|epiacalyphin amide cycloside

C15H21NO9 (359.1216256)

Bakankosin

C16H25NO8 (359.158009)

4,6,7-Trimethoxy-5-(2-hydroperoxy-3-methyl-3-butenyl)furo[2,3-b]quinoline

C19H21NO6 (359.13688060000004)

(E)-1,1-dimethyl-3-(4,6,7-trimethoxyfuro[2,3-b]quinolin-5-yl)-2-propenyl hydroperoxide

C19H21NO6 (359.13688060000004)

malbranpyrrole E

C20H22ClNO3 (359.1288132000001)

1-hydroxy-10-oxo-sinomenone

C19H21NO6 (359.13688060000004)

Opacaline A

C16H18BrN5 (359.0745488)

2-methoxycassiarin B-3-one|cassiarin H

C19H21NO6 (359.13688060000004)

Triglochinin

C14H17NO10 (359.08524220000004)

hyrtimomine B|hyrtimomines B

C20H13N3O4 (359.09060180000006)

(+)-3alpha-methoxy-6beta-acetylbulbispermine

C19H21NO6 (359.13688060000004)

Acetonylevodiamine

C22H21N3O2 (359.1633686)

Phosphoramidic acid, cyclooctyl-, diphenyl ester

C20H26NO3P (359.1650216000001)

Rubazoic acid

C20H17N5O2 (359.1382182)

Turbomycin A

C25H17N3 (359.1422402)

SCHEMBL21561739

C21H17N3O3 (359.12698520000004)

Oxyviolacein

C20H13N3O4 (359.09060180000006)

Asp Pro Glu

C14H21N3O8 (359.1328586)

Thr His Cys

C13H21N5O5S (359.12633360000007)

Phe His Gly

C17H21N5O4 (359.15934660000005)

Pro Glu Asp

C14H21N3O8 (359.1328586)

Glu Pro Asp

C14H21N3O8 (359.1328586)

Gly Phe His

C17H21N5O4 (359.15934660000005)

Pro Asp Glu

C14H21N3O8 (359.1328586)

His Gly Phe

C17H21N5O4 (359.15934660000005)

His Phe Gly

C17H21N5O4 (359.15934660000005)

Cys Thr His

C13H21N5O5S (359.12633360000007)

His Cys Thr

C13H21N5O5S (359.12633360000007)

Phe Gly His

C17H21N5O4 (359.15934660000005)

Thr Cys His

C13H21N5O5S (359.12633360000007)

TPPU

C16H20F3N3O3 (359.1456686)

2-amino-4,6-dinitrotoluene glucoside

C13H17N3O9 (359.0964752)

4-amino-2,6-dinitrotoluene glucoside

C13H17N3O9 (359.0964752)

Fe(II)-nicotianamine

C12H21FeN3O6+2 (359.0779676)

Clovamide

N-[3 inverted exclamation mark ,4 inverted exclamation mark -Dihydroxy-(E)-cinnamoyl]-3-hydroxy-L-tyrosine

C18H17NO7 (359.1004972)

Trans-Clovamide is a tyrosine derivative. trans-Clovamide is a natural product found in Dalbergia melanoxylon, Theobroma cacao, and Trifolium pratense with data available. See also: Cocoa (part of); Trifolium pratense flower (part of). cis-Clovamide is a natural product found in Theobroma cacao and Trifolium pratense with data available. See also: Cocoa (part of); Trifolium pratense flower (part of). Clovamide (trans-Clovamide), a natural phenolic compound, is a potent antioxidant. Clovamide is an excellent ROS and oxygen radical scavenger. Clovamide also has anti-inflammatory and neuroprotective effects[1][2]. Clovamide is an anti-microbial with activity against the human pathogens influenza A subtype H5N1, Trypanosoma evansi, and Heliobacter pylori[3].

Demethyleneberberine

Demethyleneberberine (chloride)

C19H18ClNO4 (359.09242980000005)

Demethyleneberberine chloride is a natural mitochondria-targeted antioxidant. Demethyleneberberine chloride alleviates mice colitis and inhibits the inflammatory responses by inhibiting NF-κB pathway and regulating the balance of Th cells. Demethyleneberberine chloride could serve as a AMPK activator for researching non-alcoholic fatty liver disease (NAFLD)[1][2][3]. Demethyleneberberine chloride is a natural mitochondria-targeted antioxidant. Demethyleneberberine chloride alleviates mice colitis and inhibits the inflammatory responses by inhibiting NF-κB pathway and regulating the balance of Th cells. Demethyleneberberine chloride could serve as a AMPK activator for researching non-alcoholic fatty liver disease (NAFLD)[1][2][3].

Stylopine hydrochloride

5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaene;hydrochloride

C19H18ClNO4 (359.09242980000005)

(±)-Stylopine (Tetrahydrocoptisine) hydrochloride is an alkaloid compound originally isolated from Corydalis tubers that exhibits anti-inflammatory and anti-parasitic activities[1][2]. (±)-Stylopine (Tetrahydrocoptisine) hydrochloride is an alkaloid compound originally isolated from Corydalis tubers that exhibits anti-inflammatory and anti-parasitic activities[1][2].

Enrofloxacin

C19H22FN3O3 (359.16451140000004)

A quinolinemonocarboxylic acid that is 1,4-dihydroquinoline-3-carboxylic acid substituted by an oxo group at position 4, a fluoro group at position 6, a cyclopropyl group at position 1 and a 4-ethylpiperazin-1-yl group at position 7. It is a veterinary antibacterial agent used for the treatment of pets. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; INTERNAL_ID 1029 CONFIDENCE standard compound; INTERNAL_ID 4096 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3667

Capecitabine

C15H22FN3O6 (359.1492564)

L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 2353 INTERNAL_ID 2353; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 2140 CONFIDENCE standard compound; INTERNAL_ID 8343 CONFIDENCE standard compound; INTERNAL_ID 4129 Capecitabine is an oral proagent that is converted to its active metabolite, 5-FU, by thymidine phosphorylase.

Capecitabine (Xeloda)

C15H22FN3O6 (359.1492564)

(2S)-3-(3,4-dihydroxyphenyl)-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propanoic acid

NCGC00385443-01!(2S)-3-(3,4-dihydroxyphenyl)-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propanoic acid

C18H17NO7 (359.1004972)

(-)-n-[3,4-dihydroxy-(e)-cinnamoyl]-3-hydroxy-l-tyrosine

C18H17NO7 (359.1004972)

Clovamide (trans-Clovamide), a natural phenolic compound, is a potent antioxidant. Clovamide is an excellent ROS and oxygen radical scavenger. Clovamide also has anti-inflammatory and neuroprotective effects[1][2]. Clovamide is an anti-microbial with activity against the human pathogens influenza A subtype H5N1, Trypanosoma evansi, and Heliobacter pylori[3].

rabeprazole

C18H21N3O3S (359.13035560000003)

A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors

MMV020320

C20H17N5O2 (359.1382182)

MMV675968

C17H18N5O2Cl (359.1148958)

MMV688755

C14H12N3O5F3 (359.0729018)

[1-(4-methoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate

C18H21N3O5 (359.14811360000004)

http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 16

Scillitazettine

C19H21NO6 (359.13688060000004)

N6-(2-Formylfuran-5-yl)methyl-deoxyadenosine

C16H17N5O5 (359.1229632)

Cys His Thr

C13H21N5O5S1 (359.12633360000007)

Normetanephrine glucuronide

C15H21NO9 (359.1216256)

Gly His Phe

C17H21N5O4 (359.15934660000005)

Fomylciprofloxacin

formylciprofloxacin

C18H18FN3O4 (359.12812800000006)

His Thr Cys

C13H21N5O5S1 (359.12633360000007)

Glu Asp Pro

C14H21N3O8 (359.1328586)

Norprochlorperazine

C19H22ClN3S (359.12228820000007)

Asp Glu Pro

C14H21N3O8 (359.1328586)

Thr Cys His

C13H21N5O5S1 (359.12633360000007)

His Cys Thr

C13H21N5O5S1 (359.12633360000007)

Cys Thr His

C13H21N5O5S1 (359.12633360000007)

Thr His Cys

C13H21N5O5S1 (359.12633360000007)

Epinephrine glucuronide

2-Hydroxy-4-[1-hydroxy-2-(methylamino)ethyl]phenyl beta-delta-glucopyranosiduronic acid

C15H21NO9 (359.1216256)

S1P Lyase Fluorogenic Substrate

2S-ammonio-3R-hydroxy-5-((2-oxo-2H-chromen-7-yl)oxy)pentyl hydrogen phosphate

C14H18NO8P (359.0769998)

Avenanthramide 2s

5-hydroxy-2-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamido]benzoic acid

C18H17NO7 (359.1004972)

L-DOPA 3'-glucoside

2-amino-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoic acid

C15H21NO9 (359.1216256)

Enroxil

1-Cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid, 9ci

C19H22FN3O3 (359.16451140000004)

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic

Isogravacridonchlorine

2-(2-Chloro-1-hydroxy-1-methylethyl)-1,11-dihydro-5-hydroxy-11-methylfuro[2,3-c]acridin-6(2H)-one

C19H18ClNO4 (359.09242980000005)

Gravacridonechlorine

2-(1-Chloro-2-hydroxy-1-methylethyl)-1,11-dihydro-5-hydroxy-11-methylfuro[2,3-c]acridin-6(2H)-one

C19H18ClNO4 (359.09242980000005)

Avenanthramide 2

5-hydroxy-2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-4-methoxybenzoic acid

C18H17NO7 (359.1004972)

Romucosine B

methyl 14-chloro-15-hydroxy-16-methoxy-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,13,15-hexaene-10-carboxylate

C19H18ClNO4 (359.09242980000005)

4-Piperidinecarboxylicacid, 1-[(4-methylphenyl)sulfonyl]-4-phenyl-

C19H21NO4S (359.1191226000001)

3-(BENZO[D][1,3]DIOXOL-5-YL)-2-(((BENZYLOXY)CARBONYL)AMINO)-3-HYDROXYPROPANOIC ACID

C18H17NO7 (359.1004972)

N,N,N,N-Tetramethyl-O-(N-succinimidyl)uronium hexafluorophosphate

C9H16F6N3O3P (359.0833428)

(S)-1,2,3,4-tetrahydro-1-phenylisoquinoline D-(-)-tartrate

C19H21NO6 (359.13688060000004)

Fmoc-L-threonine monohydrate

C19H21NO6 (359.13688060000004)

N-BOC-BELTA-ALANINE-BELTA-4-TRIFLUOROMETHYLPHENYL-N-CARBOXYANHYDRIDE

C16H16F3NO5 (359.09805220000004)

METHYL A-HYDROXY-A-METHYL-1-(PHENYLSULFONYL)INDOLE-2-ACETATE

C18H17NO5S (359.08273920000005)

Vebufloxacin

C19H22FN3O3 (359.16451140000004)

PA-824

Pretomanid

C14H12F3N3O5 (359.0729018)

J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent

4-(2,4-dichlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

C16H19Cl2NO4 (359.06910740000006)

5-Deoxy-5-fluoro-N-[(2-methylbutoxy)carbonyl]cytidine

C15H22FN3O6 (359.1492564)

DIETHYL 1-BENZYL-3,4-ETHYLENEDIOXYPYRRO&

C19H21NO6 (359.13688060000004)

TRANS-1-(TERT-BUTOXYCARBONYL)-4-(3-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE-3-CARBOXYLIC ACID

C17H20F3NO4 (359.1344356000001)

6-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridine

C18H18ClN3O3 (359.10366280000005)

4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]cyclopentane-1,2-diol

C17H23Cl2NO3 (359.1054908)

6-amino-4-(2-chlorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonitrile

C20H14ClN5 (359.09376740000005)

Fmoc-4-Abz-OH

C22H17NO4 (359.11575220000003)

p-[(2-hydroxy-1-naphthyl)azo]benzenesulphonic acid, compound with methylamine (1:1)

C17H17N3O4S (359.09397220000005)

6-Fluoro-1-(phenylsulfonyl)-2-[(2R)-2-pyrrolidinylmethyl]-1H-pyrr olo[2,3-b]pyridine

C18H18FN3O2S (359.11037000000005)

6-Fluoro-1-(phenylsulfonyl)-2-[(2S)-2-pyrrolidinylmethyl]-1H-pyrr olo[2,3-b]pyridine

C18H18FN3O2S (359.11037000000005)

(S)-N,N-DIMETHYLDINAPHTHO[2,1-D:1,2-F][1,3,2]DIOXAPHOSPHEPIN-4-AMINE

C22H18NO2P (359.1075098)

(4-(N-(2-((TERT-BUTYLDIMETHYLSILYL)OXY)ETHYL)SULFAMOYL)PHENYL)BORONIC ACID

C14H26BNO5SSi (359.1393936)

(5R)-5-[(1S)-1,2-Dihydroxyethyl]-3,4-dihydroxy-2(5H)-furanone - 1 ,1-diphenylmethanamine (1:1) (non-preferred name)

C19H21NO6 (359.13688060000004)

Piperidolate hydrochloride

Piperidolate (hydrochloride)

C21H26ClNO2 (359.16519660000006)

C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent Piperidolate hydrochloride is an antimuscarinic, inhibits intestinal cramp induced by acetylcholine (rats and dogs).

ETHYL 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-(PIPERAZIN-1-YL)-1,4-DIHYDROQUINOLINE-3-CARBOXYLATE

C19H22FN3O3 (359.16451140000004)

7-(3-Aminoazepan-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

C19H22FN3O3 (359.16451140000004)

METHYL 4-[3,5-BIS(METHOXYCARBONYL)PHENOXY]-3-AMINOBENZOATE

C18H17NO7 (359.1004972)

(R)-(-)-[4-N,N-Dimethylamino]dinaphtho[2,1-d:1,2-f][1,3,2]dioxaphosphepin

C22H18NO2P (359.1075098)

2-(Tributylstannyl)-1,3-oxazole

C15H29NOSn (359.1271014)

2,6-difluoro-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide

C19H20BF2NO3 (359.1504224)

Phenol, 4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-, 1-(dihydrogen phosphate), sodium salt

C16H17NaO6P (359.06604120000003)

Benzyloxycarbonylamino-(diethoxy-phosphoryl)-acetic acid methyl ester

C15H22NO7P (359.1133832)

Oxodipine

C19H21NO6 (359.13688060000004)

C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker

SGX-523

C18H13N7S (359.09530980000005)

C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164000 - c-Met-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

2-[[4-[(2,4-dinitrophenyl)azo]phenyl]ethylamino]ethanol

C16H17N5O5 (359.1229632)

6-amino-4-(4-chlorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonitrile

C20H14ClN5 (359.09376740000005)

4-(3,4-dichlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

C16H19Cl2NO4 (359.06910740000006)

fmoc-l-cyclopropylalanine

C23H21NO3 (359.15213560000007)

Fmoc-3-Abz-OH

C22H17NO4 (359.11575220000003)

6-ACETYL-5-(4-CHLOROPHENYL)-1,3,7-TRIMETHYL-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE

C18H18ClN3O3 (359.10366280000005)

Clemastine N-Oxide

C21H26ClNO2 (359.16519660000006)

Vonoprazan Fumarate impurity

C18H18FN3O2S (359.11037000000005)

Fmoc-2-Abz-OH

C22H17NO4 (359.11575220000003)

(4-BENZYLPIPERAZIN-1-YL)PIPERIDIN-4-YL-METHANONE DIHYDROCHLORIDE

C17H27Cl2N3O (359.1531072)

3-(4-CHLORO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

C16H22ClNO4S (359.09580020000004)

5,6-Dichloro-1,3-diethyl-2-(2-phenylimino ethylidene) benzimidazoline

C19H19Cl2N3 (359.09559540000004)

Dimefline Hydrochloride

C20H22ClNO3 (359.1288132000001)

C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant

5-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine

C15H22FN3O6 (359.1492564)

5′-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine is an impurity in the synthesis of Capecitabine (HY-B0016)[1].

methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-2-phenylpyrimidin-1-yl]acetate

C18H21N3O5 (359.14811360000004)

(S)-(+)-5-OXOTETRAHYDROFURAN-2-CARBOXYLICACID

C23H21NO3 (359.15213560000007)

Tris(2,4-dioxo-3-pentanyl)cobalt

C15H24CoO6 (359.0904784)

(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE-3-CARBOXYLIC ACID

C17H20F3NO4 (359.1344356000001)

1H-Indazole-1-acetamide,N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)-(9CI)

C14H16F3N5OS (359.10276020000003)

Dexrabeprazole

C18H21N3O3S (359.13035560000003)

A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors

N-((2S,3R)-3-Amino-2-hydroxy-5-(isopropylsulfanyl)pentanoyl)-N-3-chlorobenzoyl hydrazide

C15H22ClN3O3S (359.10703320000005)

[[2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methylphosphonic acid

C16H18N5O3P (359.11472080000004)

Isofetamid

C20H25NO3S (359.15550600000006)

D016573 - Agrochemicals D010575 - Pesticides

3-[(3-Chlorophenoxy)methyl]-1-(Tetrahydro-2h-Pyran-4-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine

C17H18ClN5O2 (359.1148958)

3-(3-Bromobenzyl)-1-Tert-Butyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine

C16H18BrN5 (359.0745488)

N-(1,3-benzodioxol-5-yl)-2-chloro-N-[(2-prop-2-enoxyphenyl)methyl]acetamide

C19H18ClNO4 (359.09242980000005)

Isopropyl 2-[4-(3-chlorophenyl)piperazino]nicotinate

C19H22ClN3O2 (359.14004620000003)

4-(benzenesulfonyl)-N-methyl-N-phenyl-1-piperazinecarboxamide

C18H21N3O3S (359.13035560000003)

5-Benzyl-2-(3-carboxy-acryloylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester

C18H17NO5S (359.08273920000005)

2-(4-methylphenoxy)-N-[4-(2-oxazolo[4,5-b]pyridinyl)phenyl]acetamide

C21H17N3O3 (359.12698520000004)

1-(3-Chlorophenyl)-3-[4-[4-morpholinyl(oxo)methyl]phenyl]urea

C18H18ClN3O3 (359.10366280000005)

2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C17H17N3O4S (359.09397220000005)

2-[[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]thio]-1-(1-pyrrolidinyl)ethanone

C18H21N3O3S (359.13035560000003)

3-[(3-Chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C18H18ClN3O3 (359.10366280000005)

(S)-penthiopyrad

C16H20F3N3OS (359.12791060000006)

(R)-penthiopyrad

C16H20F3N3OS (359.12791060000006)

N-(3-((4-Hydroxyphenyl)amino)-3-oxo-1-(pyridin-4-yl)prop-1-en-2-yl)benzamide

C21H17N3O3 (359.12698520000004)

Phentetramine

C17H21N5O4 (359.15934660000005)

[1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate

C17H29NO3S2 (359.1588764)

1-(Thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine

C17H17N3O2S2 (359.0762142)

4-{4-[4-(3-Aminopropoxy)phenyl]-1H-pyrazol-5-YL}-6-chlorobenzene-1,3-diol

C18H18ClN3O3 (359.10366280000005)

Binfloxacin

C19H22FN3O3 (359.16451140000004)

C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic

N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide

C20H17N5O2 (359.1382182)

5-Chloro-6-[(2,5-dimethoxyanilino)methyl]quinazoline-2,4-diamine

C17H18ClN5O2 (359.1148958)

3-(4-Methoxyphenyl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine

C22H21N3O2 (359.1633686)

2-(Hydroxymethyl)-6-(4-methyl-3,5-dinitroanilino)oxane-3,4,5-triol

C13H17N3O9 (359.0964752)

(R)-Rosmarinate

C18H15O8- (359.076689)

A stereoisomer of rosmarinate having (R)-configuration.

gibberellin A25(2-)

C20H23O6-3 (359.1494558)

7-Deoxyloganate

C16H23O9- (359.13420080000003)

A monocarboxylic acid anion that is the conjugate base of 7-deoxyloganic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

1,3,6,8-tetrahydroxy-3-[(2S)-1,4-dihydroxybutan-2-yl]anthracene-5,10-dione

C18H15O8- (359.076689)

Ethylenediamine-di-o-hydroxyphenylacetic acid

C18H19N2O6- (359.1243054)

Fe(II)-NA

C12H21FeN3O6+2 (359.0779676)

7-Epi-deoxyloganate

C16H23O9- (359.13420080000003)

(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid

C17H17N3O6 (359.1117302)

N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide

C18H21N3O3S (359.13035560000003)

N-{3-nitrobenzylidene}naphtho[2,1-b]furan-2-carbohydrazide

C20H13N3O4 (359.09060180000006)

N-(4-acetamidophenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetamide

C17H21N5O2S (359.14158860000003)

6-(1,3-benzodioxol-5-yl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinamine

C21H17N3O3 (359.12698520000004)

6-(1,3-benzodioxol-5-yl)-N-[2-(2-furanyl)ethyl]-4-quinazolinamine

C21H17N3O3 (359.12698520000004)

6-(1,3-benzodioxol-5-yl)-N-[(2-methyl-3-furanyl)methyl]-4-quinazolinamine

C21H17N3O3 (359.12698520000004)

1-(2-Fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine

C18H18FN3O4 (359.12812800000006)

(E)-4-[(3-ethoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)amino]-4-oxobut-2-enoic acid

C18H17NO5S (359.08273920000005)

1-[[2-(2,4-Difluorophenoxy)-1-oxopropyl]amino]-3-(2-oxolanylmethyl)thiourea

C15H19F2N3O3S (359.1115128)

2-[(3,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-N-(4-methylphenyl)acetamide

C17H17N3O2S2 (359.0762142)

1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiazolyl]-4-piperidinecarboxamide

C18H21N3O3S (359.13035560000003)

Asp-Pro-Glu

C14H21N3O8 (359.1328586)

Phe-Gly-His

C17H21N5O4 (359.15934660000005)

Gly-His-Phe

C17H21N5O4 (359.15934660000005)

5-[1-[(3,5-Dimethoxyphenyl)methylamino]ethylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

C18H21N3O5 (359.14811360000004)

(S)-versiconol(1-)

C18H15O8- (359.076689)

A phenolate anion obtained by deprotonation of the 2-hydroxy group of (S)-versiconol. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

N-[2-[(2-methylphenyl)methylthio]ethyl]-3-[(4-methylphenyl)thio]propanamide

C20H25NOS2 (359.137748)

1-(4-Chlorophenyl)-3-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]urea

C19H22ClN3O2 (359.14004620000003)

(3aS)-2-benzyl-10,10-dimethyl-4,9-dihydro-3aH-imidazo[1,5-b]-carboline-1,3-quinone

C22H21N3O2 (359.1633686)

N-hydroxy-N-[(E)-(4-thiophen-2-ylphenyl)methylideneamino]heptanediamide

C18H21N3O3S (359.13035560000003)

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)thio]propanamide

C20H25NO3S (359.15550600000006)

4-methoxy-N-{[2-(phenoxyacetyl)hydrazino]carbothioyl}benzamide

C17H17N3O4S (359.09397220000005)

N-[2-(4-Methoxy-phenyl)-6-methyl-2H-benzotriazol-5-yl]-nicotinamide

C20H17N5O2 (359.1382182)

[3-[(2-Chlorophenoxy)methyl]phenyl]-(2,6-dimethyl-4-morpholinyl)methanone

C20H22ClNO3 (359.1288132000001)

2-[[[5-(Dimethylsulfamoyl)-2-methylanilino]-sulfanylidenemethyl]hydrazo]-2-oxoacetamide

C12H17N5O4S2 (359.0721922)

4-[[4-(Dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester

C17H21N5O4 (359.15934660000005)

N-[2-(2-imidazo[1,2-a]pyridinyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide

C17H17N3O4S (359.09397220000005)

N-[4-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide

C18H21N3O3S (359.13035560000003)

N,N-bis(but-2-ynyl)-3-methoxy-4-(1-tetrazolyl)benzenesulfonamide

C16H17N5O3S (359.1052052)

N-[2-methyl-5-(2-oxazolo[4,5-b]pyridinyl)phenyl]-2-phenoxyacetamide

C21H17N3O3 (359.12698520000004)

[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-(2-ethoxy-3-pyridinyl)methanone

C19H22ClN3O2 (359.14004620000003)

N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-4-thiadiazolecarboxamide

C17H21N5O2S (359.14158860000003)

N-cyclohexyl-2-[(6-hydroxy-4-oxo-1-phenyl-2-pyrimidinyl)thio]acetamide

C18H21N3O3S (359.13035560000003)

proatranorin III

C18H15O8- (359.076689)

6-(2-chlorophenyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine

C22H18ClN3 (359.1189178)

2-Chloro-5-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid

C18H18ClN3O3 (359.10366280000005)

(15R)-13-Benzyl-10,10-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione

C22H21N3O2 (359.1633686)

N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-thiophenecarboxamide

C18H15F2N3OS (359.09038440000006)

Rosmarinate anion

C18H15O8- (359.076689)

Asp-Glu-Pro

C14H21N3O8 (359.1328586)

Cys-His-Thr

C13H21N5O5S (359.12633360000007)

Glu-Pro-Asp

C14H21N3O8 (359.1328586)

Glu-Asp-Pro

C14H21N3O8 (359.1328586)

N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine

C21H26ClNO2 (359.16519660000006)

2-[(2S,3S,6R)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester

C15H18FNO6S (359.083882)

(2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile

C22H21N3O2 (359.1633686)

(2S,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile

C22H21N3O2 (359.1633686)

2-[(2S,3R,6R)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester

C15H18FNO6S (359.083882)

2-[(2R,3S,6R)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester

C15H18FNO6S (359.083882)

2-[(2S,3S,6S)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester

C15H18FNO6S (359.083882)

(2R,3R,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile

C22H21N3O2 (359.1633686)

2-[(2R,3S,6S)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester

C15H18FNO6S (359.083882)

2-[(2S,3R,6S)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester

C15H18FNO6S (359.083882)

2-[(2R,3R,6S)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester

C15H18FNO6S (359.083882)

2-[(2R,3R,6R)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester

C15H18FNO6S (359.083882)

(2S,3S,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile

C22H21N3O2 (359.1633686)

(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile

C22H21N3O2 (359.1633686)

His-Thr-Cys

C13H21N5O5S (359.12633360000007)

Thr-Cys-His

C13H21N5O5S (359.12633360000007)

His-Gly-Phe

C17H21N5O4 (359.15934660000005)

Phe-His-Gly

C17H21N5O4 (359.15934660000005)

Cys-Thr-His

C13H21N5O5S (359.12633360000007)

Gly-Phe-His

C17H21N5O4 (359.15934660000005)

His-Cys-Thr

C13H21N5O5S (359.12633360000007)

His-Phe-Gly

C17H21N5O4 (359.15934660000005)

Pro-Asp-Glu

C14H21N3O8 (359.1328586)

Pro-Glu-Asp

C14H21N3O8 (359.1328586)

Thr-His-Cys

C13H21N5O5S (359.12633360000007)

N(2)-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]-N-butyl-L-cysteinamide

C13H21N5O3S2 (359.10857560000005)

7,3,5-O-trimethylmyricetin

C18H15O8- (359.076689)

3,3,5-O-trimethylmyricetin

C18H15O8- (359.076689)

[(2R,3R,4S,5R)-3,5-dihydroxy-2-(hydroxymethyl)-6-indol-1-yloxan-4-yl] dihydrogen phosphate

C14H18NO8P (359.0769998)

N2-MP-dG

C16H17N5O5 (359.1229632)

Isopenicillin N

C14H21N3O6S (359.1151006)

1-(4-Fluorophenyl)-4-oxo-7-(4-pyridyl)quinoline-3-carboxamide

C21H14FN3O2 (359.1069996)

TRIBOA beta-D-glucoside

C14H17NO10 (359.08524220000004)

Grepafloxacin

C19H22FN3O3 (359.16451140000004)

J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors ATC code: J01MA11

N-Desmethyl-p-hydroxyrosiglitazone

C17H17N3O4S (359.09397220000005)

N-Desmethyl-O-hydroxy rosiglitazone

C17H17N3O4S (359.09397220000005)

L-DOPA 3-glucoside

C15H21NO9 (359.1216256)

Rosmarinate

C18H15O8 (359.076689)

The conjugate base of rosmarinic acid; major species at pH 7.3.

AVN-492

C17H21N5O2S (359.14158860000003)

AVN-492 is a very specific and highly-selective antagonist with picomolar affinity to 5-HT6R (Ki=91 pM).

Chromeceptin

C19H16F3N3O (359.1245402)

Chromeceptin (94G6) is an IGF signaling pathway inhibitor. Chromeceptin suppresses IGF2 expression at mRNA and protein levels in hepatocyte and HCC cells. Chromeceptin inhibits the phosphorylation levels of AKT and mTOR[1].

Lusaperidone

C22H21N3O2 (359.1633686)

Lusaperidone (R107474) is an α2 adrenergic receptor antagonist with Kis of 0.13 and 0.15 nM for α2A and α2C, respectively.

(1s,16r,17s,18s,19s)-16-hydroxy-17-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,14-tetraen-18-yl acetate

C19H21NO6 (359.13688060000004)

4-[cyano({[(1s,2r,3r,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})methylidene]hex-2-enedioic acid

C14H17NO10 (359.08524220000004)

3,11-dihydroxy-16-oxa-4,14,22-triazahexacyclo[15.6.1.0²,⁶.0⁷,¹⁵.0⁸,¹³.0²¹,²⁴]tetracosa-1(23),3,7(15),8,10,12,17(24),18,20-nonaen-5-one

C20H13N3O4 (359.09060180000006)

19-[(1r)-1-ethoxyethyl]-3,13,17-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one

C22H21N3O2 (359.1633686)

3-[(3s,6s,11ar)-1,4-dihydroxy-3-[2-(methylsulfanyl)ethyl]-7-oxo-1h,2h,3h,6h,9h,10h,11h,11ah-pyrrolo[1,2-a][1,4,7]triazonin-6-yl]propanoic acid

C15H25N3O5S (359.15148400000004)

(2e)-n-[(2r)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid

C19H21NO6 (359.13688060000004)

(2s,5r)-4-hydroxy-5-(1h-indol-3-yl)-1h,2h,5h,6h-azepino[4,5-b]indole-2-carboxylic acid

C21H17N3O3 (359.12698520000004)

(1r,9r,10s)-3,6-dihydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraene-8,13-dione

C19H21NO6 (359.13688060000004)

acetonylevodiamine

C22H21N3O2 (359.1633686)

{"Ingredient_id": "HBIN014422","Ingredient_name": "acetonylevodiamine","Alias": "NA","Ingredient_formula": "C22H21N3O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14113","TCMID_id": "114","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}