Exact Mass: 359.1633686
Exact Mass Matches: 359.1633686
Found 500 metabolites which its exact mass value is equals to given mass value 359.1633686
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Etoxazole
C21H23F2NO2 (359.16967619999997)
CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10356; ORIGINAL_PRECURSOR_SCAN_NO 10354 CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10360; ORIGINAL_PRECURSOR_SCAN_NO 10358 CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10425; ORIGINAL_PRECURSOR_SCAN_NO 10424 CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10345; ORIGINAL_PRECURSOR_SCAN_NO 10344 CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10415; ORIGINAL_PRECURSOR_SCAN_NO 10413 CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10391; ORIGINAL_PRECURSOR_SCAN_NO 10390 D010575 - Pesticides > D056810 - Acaricides D016573 - Agrochemicals
Capecitabine
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
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
Grepafloxacin
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
Clethodim
C17H26ClNO3S (359.1321836000001)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Enrofloxacin
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
N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid
C19H21NO6 (359.13688060000004)
Norendoxifen
Norendoxifen is a metabolite of tamoxifen. Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. Tamoxifen is the usual endocrine therapy for hormone receptor-positive breast cancer in pre-menopausal women, and is also a standard in post-menopausal women although aromatase inhibitors are also frequently used in that setting. (Wikipedia)
5-Hydroxydec-6-enedioylcarnitine
C17H29NO7 (359.19439239999997)
5-Hydroxydec-6-enedioylcarnitine is an acylcarnitine. More specifically, it is an 5-hydroxydec-6-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 5-Hydroxydec-6-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-Hydroxydec-6-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
5-Hydroxydec-7-enedioylcarnitine
C17H29NO7 (359.19439239999997)
5-Hydroxydec-7-enedioylcarnitine is an acylcarnitine. More specifically, it is an 5-hydroxydec-7-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 5-Hydroxydec-7-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-Hydroxydec-7-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
5-Hydroxydec-8-enedioylcarnitine
C17H29NO7 (359.19439239999997)
5-Hydroxydec-8-enedioylcarnitine is an acylcarnitine. More specifically, it is an 5-hydroxydec-8-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 5-Hydroxydec-8-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-Hydroxydec-8-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
6-Hydroxydec-6-enedioylcarnitine
C17H29NO7 (359.19439239999997)
6-Hydroxydec-6-enedioylcarnitine is an acylcarnitine. More specifically, it is an 6-hydroxydec-6-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 6-Hydroxydec-6-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-Hydroxydec-6-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
5-Hydroxydec-5-enedioylcarnitine
C17H29NO7 (359.19439239999997)
5-Hydroxydec-5-enedioylcarnitine is an acylcarnitine. More specifically, it is an 5-hydroxydec-5-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 5-Hydroxydec-5-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-Hydroxydec-5-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(2Z)-5-Hydroxydec-2-enedioylcarnitine
C17H29NO7 (359.19439239999997)
(2Z)-5-Hydroxydec-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an (2Z)-5-hydroxydec-2-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2Z)-5-Hydroxydec-2-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2Z)-5-Hydroxydec-2-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
6-Hydroxydec-7-enedioylcarnitine
C17H29NO7 (359.19439239999997)
6-Hydroxydec-7-enedioylcarnitine is an acylcarnitine. More specifically, it is an 6-hydroxydec-7-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 6-Hydroxydec-7-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-Hydroxydec-7-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(1-(5-Fluoropentyl)-1H-indol-3-yl)(naphthalen-1-yl)methanone
2-[(3,17-Dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene)amino]oxyacetic acid
Binfloxacin
C19H22FN3O3 (359.16451140000004)
C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
Chlorambucil-tertiary butyl ester
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds
Clethodim
C17H26ClNO3S (359.1321836000001)
(S)-N-Benzyl-2-((S)-2-(2-hydroxyacetyl)pyrrolidine-1-carbonyl)pyrrolidine-1-carboxamide
Oxodipine
C19H21NO6 (359.13688060000004)
Pro-Pro-Phe
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)
2,3-dimethoxy-14-methylindolo[2,3:3,4]pyrido[2,1-b]quinazolin-5(14h)-one
C21H17N3O3 (359.12698520000004)
3-O-acetylungiminorine|3-O-Acetylungminorine|ungiminorine acetate
C19H21NO6 (359.13688060000004)
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)
2-methoxycassiarin B-3-one|cassiarin H
C19H21NO6 (359.13688060000004)
(+)-3alpha-methoxy-6beta-acetylbulbispermine
C19H21NO6 (359.13688060000004)
4-hydroxy-3,7,8-trimethoxy-17-methyl-7,8-didehydrohasubanan-6-one
N-(3,4-Dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)acetamide
Phosphoramidic acid, cyclooctyl-, diphenyl ester
C20H26NO3P (359.1650216000001)
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
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.
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
[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
Etoxazole
C21H23F2NO2 (359.16967619999997)
D010575 - Pesticides > D056810 - Acaricides D016573 - Agrochemicals
Ala Ala Ala Gln
Ala Ala Gln Ala
Ala Gly Gly Arg
Ala Gly Asn Val
Ala Gly Arg Gly
Ala Gly Val Asn
Ala Asn Gly Val
Ala Asn Val Gly
Ala Gln Ala Ala
Ala Arg Gly Gly
Ala Val Gly Asn
Ala Val Asn Gly
Gly Ala Gly Arg
Gly Ala Asn Val
Gly Ala Arg Gly
Gly Ala Val Asn
Gly Gly Ala Arg
Gly Gly Ile Asn
Gly Gly Leu Asn
Gly Gly Asn Ile
Gly Gly Asn Leu
Gly Gly Gln Val
Gly Gly Arg Ala
Gly Gly Val Gln
Gly Ile Gly Asn
Gly Ile Asn Gly
Gly Leu Gly Asn
Gly Leu Asn Gly
Gly Asn Ala Val
Gly Asn Gly Ile
Gly Asn Gly Leu
Gly Asn Ile Gly
Gly Asn Leu Gly
Gly Asn Val Ala
Gly Gln Gly Val
Gly Gln Val Gly
Gly Arg Ala Gly
Gly Arg Gly Ala
Gly Val Ala Asn
Gly Val Gly Gln
Gly Val Asn Ala
Gly Val Gln Gly
Ile Gly Gly Asn
Ile Gly Asn Gly
Ile Asn Gly Gly
Leu Gly Gly Asn
Leu Gly Asn Gly
Leu Asn Gly Gly
Asn Ala Gly Val
Asn Ala Val Gly
Asn Gly Ala Val
Asn Gly Gly Ile
Asn Gly Gly Leu
Asn Gly Ile Gly
Asn Gly Leu Gly
Asn Gly Val Ala
Asn Ile Gly Gly
Asn Leu Gly Gly
Asn Val Ala Gly
Asn Val Gly Ala
Gln Ala Ala Ala
Gln Gly Gly Val
Gln Gly Val Gly
Gln Val Gly Gly
Arg Ala Gly Gly
Arg Gly Ala Gly
Arg Gly Gly Ala
Val Ala Gly Asn
Val Ala Asn Gly
Val Gly Ala Asn
Val Gly Gly Gln
Val Gly Asn Ala
Val Gly Gln Gly
Val Asn Ala Gly
Val Asn Gly Ala
Val Gln Gly Gly
Enroxil
C19H22FN3O3 (359.16451140000004)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
(S)-1,2,3,4-tetrahydro-1-phenylisoquinoline D-(-)-tartrate
C19H21NO6 (359.13688060000004)
2-BOC-5-(2-ISOPROPYLAMINO-THIAZOL-4-YL)-ISOINDOLINE
5-Deoxy-5-fluoro-N-[(2-methylbutoxy)carbonyl]cytidine
DIETHYL 1-BENZYL-3,4-ETHYLENEDIOXYPYRRO&
C19H21NO6 (359.13688060000004)
TRANS-1-(TERT-BUTOXYCARBONYL)-4-(3-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
C17H20F3NO4 (359.1344356000001)
Urea, N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]-N-(phenylmethyl)- (9CI)
Urea, N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]-N-(4-methylphenyl)- (9CI)
Urea, N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]-N-(2-methylphenyl)- (9CI)
Urea, N-[2-[(3-cyano-6-methyl-2-quinolinyl)amino]ethyl]-N-(phenylmethyl)- (9CI)
2-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)-6-((TRIMETHYLSILYL)ETHYNYL)FURO[3,2-B]PYRIDINE
1-phenyl-N-[2-(9H-thioxanthen-9-yl)ethyl]propan-2-amine
(4-(N-(2-((TERT-BUTYLDIMETHYLSILYL)OXY)ETHYL)SULFAMOYL)PHENYL)BORONIC ACID
(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
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)
1-BOC-4-[CARBOXY-(1H-INDOL-2-YL)-METHYL]-PIPERAZINE
captodiame
N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BB - Diphenylmethane derivatives C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
BENZENEACETAMIDE,N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-3,4-DIMETHOXY-, ION(1-) (9CI)
3-(4-BOC-PIPERAZIN-1-YL-METHYL)-5-TRIFLUOROMETHYLANILINE
2,6-difluoro-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide
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
6,7-Didehydro-8β,10β-epoxy-3,4,7-trimethoxy-17-methylhasubanan-8-ol
PIFZER CALCIUM-SENSING PARATHYROID HORMONE RECEPTORS ANTAGONISTS
2-[2-(2-ethoxypyridin-3-yl)oxyethoxy]-3-(2-methylpiperazin-1-yl)pyrazine
(3-BOC-AMINO-PIPERIDIN-1-YL)-(1H-INDOL-2-YL)-ACETICACID
2-(7-Amino-1-isoquinolinyl)imidodicarbonic acid 1,3-bis(1,1-dimethylethyl) ester
2,4-Diphenyl-6-(4,4,5,5-tetramethyl-[1,3,2] dioxaborolan-2-yl)-[1,3,5]triazine
4-[2-(1,3-DIHYDRO-1,3DIOXO-2H-ISOINDOL-YL)ETHYL]-1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER
4-((2S)PYRROLIDIN-2-YL)-1,2-BIS(PHENYLMETHOXY)BENZENE
1-Piperidinepropanoic acid, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-, ethyl ester, (3R,4R)-
(4-BENZYLPIPERAZIN-1-YL)PIPERIDIN-4-YL-METHANONE DIHYDROCHLORIDE
Dimefline Hydrochloride
C20H22ClNO3 (359.1288132000001)
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
tert-Butyl 4-((3-(trifluoromethyl)phenoxy)methyl)piperidine-1-carboxylate
C18H24F3NO3 (359.17081900000005)
5-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine
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)
(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
C17H20F3NO4 (359.1344356000001)
4-(4-BOC-PIPERAZIN-1-YL-METHYL)-2-TRIFLUOROMETHYLANILINE
Florbetaben F-18
C21H26FNO3 (359.18966180000007)
V - Various > V09 - Diagnostic radiopharmaceuticals > V09A - Central nervous system C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate
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
2-({2-[(3r)-3-Aminopiperidin-1-Yl]-4-Oxoquinazolin-3(4h)-Yl}methyl)benzonitrile
Estradiol-6-cmo
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Bufetolol hydrochloride
C18H30ClNO4 (359.18632500000007)
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
3-[(R)-[1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl]-hydroxymethyl]-2-methoxyphenol
C21H26FNO3 (359.18966180000007)
Isopropyl 2-[4-(3-chlorophenyl)piperazino]nicotinate
C19H22ClN3O2 (359.14004620000003)
4-(benzenesulfonyl)-N-methyl-N-phenyl-1-piperazinecarboxamide
C18H21N3O3S (359.13035560000003)
4-[4-(4-methoxyphenyl)piperazino]-5H-pyrimido[5,4-b]indole
3-[(S)-[1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl]-hydroxymethyl]-2-methoxyphenol
C21H26FNO3 (359.18966180000007)
2-(4-methylphenoxy)-N-[4-(2-oxazolo[4,5-b]pyridinyl)phenyl]acetamide
C21H17N3O3 (359.12698520000004)
2-[[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]thio]-1-(1-pyrrolidinyl)ethanone
C18H21N3O3S (359.13035560000003)
N-(3-((4-Hydroxyphenyl)amino)-3-oxo-1-(pyridin-4-yl)prop-1-en-2-yl)benzamide
C21H17N3O3 (359.12698520000004)
[1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate
N-[(2R)-2-{[(2S)-2-(1,3-Benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide
9-Butyl-8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine
[(3,7,11-Trimethyl-dodeca-2,6,10-trienyloxycarbamoyl)-methyl]-phosphonic acid
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
3-(4-Methoxyphenyl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine
1-(4-Piperidylmethyl)-3-(3-quinolyl)pyrazolo[3,4-d]pyrimidin-4-amine
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.
(2Z)-5-Hydroxydec-2-enedioylcarnitine
C17H29NO7 (359.19439239999997)
3-ethyl-2-[5-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzoxazol-3-ium
C23H23N2O2+ (359.17594379999997)
D004396 - Coloring Agents > D002232 - Carbocyanines
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
C18H21N3O3S (359.13035560000003)
Phe-Pro-Pro
A tripeptide composed of L-phenylalanine and two L-proline units joined by peptide linkages.
N-cycloheptyl-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
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)
5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenol
1-[4-[4-(2-Methylpropoxy)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiazolyl]-4-piperidinecarboxamide
C18H21N3O3S (359.13035560000003)
5-[1-[(3,5-Dimethoxyphenyl)methylamino]ethylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
C18H21N3O5 (359.14811360000004)
N-[2-[(2-methylphenyl)methylthio]ethyl]-3-[(4-methylphenyl)thio]propanamide
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
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)
1-[6-Amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-3-butyl-1-ethylurea
N-[2-(4-Methoxy-phenyl)-6-methyl-2H-benzotriazol-5-yl]-nicotinamide
[3-[(2-Chlorophenoxy)methyl]phenyl]-(2,6-dimethyl-4-morpholinyl)methanone
C20H22ClNO3 (359.1288132000001)
4-[[4-(Dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester
C17H21N5O4 (359.15934660000005)
5-[1-[3-(4-Ethylphenoxy)propylamino]ethylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
N-[4-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide
C18H21N3O3S (359.13035560000003)
N-[2-methyl-5-(2-oxazolo[4,5-b]pyridinyl)phenyl]-2-phenoxyacetamide
C21H17N3O3 (359.12698520000004)
2,4-dioxo-3-(2-oxolanylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide
[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)
1-ethyl-N-heptanoyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbohydrazide
(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
N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine
C21H26ClNO2 (359.16519660000006)
(2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile
(2S,3S,3aR,9bR)-1-[cyclobutyl(oxo)methyl]-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(1S,9R,10R,11R)-12-acetyl-N-cyclopentyl-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(2S,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile
(1R,9S,10S,11S)-12-acetyl-N-cyclopentyl-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide
(2R,3R,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile
(1S,5R)-7-[4-(2-fluorophenyl)phenyl]-3-(2-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptane
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide
(2S,3S,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile
(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile
(2R,3R,3aS,9bS)-1-[cyclobutyl(oxo)methyl]-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(1S,5R)-7-[4-(3-fluorophenyl)phenyl]-6-(2-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptane
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)propanamide
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
[1-(5-Fluoropentyl)-1H-indol-3-yl](naphthalen-1-yl)methanone
AVN-492
C17H21N5O2S (359.14158860000003)
AVN-492 is a very specific and highly-selective antagonist with picomolar affinity to 5-HT6R (Ki=91 pM).
Lusaperidone
Lusaperidone (R107474) is an α2 adrenergic receptor antagonist with Kis of 0.13 and 0.15 nM for α2A and α2C, respectively.
4,8-dimethoxy-8-(3-methylbut-2-en-1-yl)-5h,6h,7h-furo[2,3-b]quinolin-7-yl acetate
(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)
(12as,12bs)-2,3-dimethoxy-12a-(methoxycarbonyl)-5h,6h,8h,10h,11h,12h,12bh-isoindolo[1,2-a]isoquinolin-7-ium-7-olate
(1r,9s,10r)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
(1s,10s)-4-hydroxy-3,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
5,7,8,11-tetramethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-3-ium-3-olate
(1s,9r,10r)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
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
(1s,12s,14r)-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl 3-hydroxybutanoate
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)
10-hydroxy-3-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxa-1-azatricyclo[5.2.1.0⁴,¹⁰]decane-2,6-dione
(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)
4-hydroxy-3,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
8α-ethoxyprecriwelline
{"Ingredient_id": "HBIN013626","Ingredient_name": "8\u03b1-ethoxyprecriwelline","Alias": "NA","Ingredient_formula": "C20H25NO5","Ingredient_Smile": "CCOC1C2=CC3=C(C=C2C45C=CC(CC4N(CC5O1)C)OC)OCO3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7413","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acetonylevodiamine
{"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"}
1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1h-isoquinoline-4,6-diol
3-butyl-7-methoxy-10-phenyl-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(12),4,6,9(13),10-pentaene-2,8-dione
C23H21NO3 (359.15213560000007)
(3r,4s,7r,10r)-3-[(1s,2r,4as,8as)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-10-hydroxy-5-oxa-1-azatricyclo[5.2.1.0⁴,¹⁰]decane-2,6-dione
11-ethoxy-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraene
(2s)-4-hydroxy-5-(1h-indol-3-yl)-1h,2h,5h,6h-azepino[4,5-b]indole-2-carboxylic acid
C21H17N3O3 (359.12698520000004)
(2r)-3-methyl-1-{4,6,7-trimethoxyfuro[2,3-b]quinolin-5-yl}but-3-ene-2-peroxol
C19H21NO6 (359.13688060000004)
(2e)-n-[(2s)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3-(3,4-dimethoxyphenyl)prop-2-enimidic acid
C19H21NO6 (359.13688060000004)
9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl 3-hydroxybutanoate
(1s,12s,14r)-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl (3s)-3-hydroxybutanoate
7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol
C23H21NO3 (359.15213560000007)
8-hydroxy-3,4,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,12-tetraen-11-one
17,18-dimethoxy-21-methyl-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1,3,5,7,9,11,15,17,19-nonaen-14-one
C21H17N3O3 (359.12698520000004)
(1r,11s,13s,15r,18s)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-11-yl acetate
C19H21NO6 (359.13688060000004)
methyl 6-hydroxy-7,11-dimethoxy-1h,2h,4h,5h,10h,11h,12h-indolo[7a,1-a]isoquinoline-8-carboxylate
n-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3-(3,4-dimethoxyphenyl)prop-2-enimidic acid
C19H21NO6 (359.13688060000004)
(9bs,11r,12r)-12-hydroxy-7,8,11-trimethoxy-1h,2h,10h,11h,12h-indolo[7a,1-a]isoquinoline-4,5-dione
C19H21NO6 (359.13688060000004)
(1s,12s,14r)-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl (3r)-3-hydroxybutanoate
17-hydroxy-14-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-18-yl acetate
C19H21NO6 (359.13688060000004)
9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl 3-hydroxybutanoate
6-[(1e,3e)-4-(3-chloro-1h-pyrrol-2-yl)-3-methylbuta-1,3-dien-1-yl]-2,3,3,7-tetramethyl-2h-furo[3,2-c]pyran-4-one
C20H22ClNO3 (359.1288132000001)
6-[5-(3-chloro-1h-pyrrol-2-yl)penta-2,4-dien-2-yl]-4-methoxy-3-(2-methylbut-3-en-2-yl)pyran-2-one
C20H22ClNO3 (359.1288132000001)
14-ethyl-9-oxo-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,10,12(21),14-hexaene-10-carboxamide
(1r,9s,10s)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
(5s,9bs,11s)-5,7,8,11-tetramethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-3-ium-3-olate
(3s,5r,9bs,11r)-5,7,8,11-tetramethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-3-ium-3-olate
4-hydroxy-5-(1h-indol-3-yl)-1h,2h,5h,6h-azepino[4,5-b]indole-2-carboxylic acid
C21H17N3O3 (359.12698520000004)
(1s,11s,13r,16s,18r)-11-ethoxy-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraene
(1s,12s,14r)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl (3s)-3-hydroxybutanoate
(10s)-5-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
(1r,8s,10s,11r)-3,4,12-trimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6,12-tetraen-11-ol
(1r,9s,10r)-5-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
(1r,9s,10s)-5-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
(1s,11s,13r,16s)-11-ethoxy-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,18-tetraene
6-[4-(3-chloro-1h-pyrrol-2-yl)-3-methylbuta-1,3-dien-1-yl]-2,3,3,7-tetramethyl-2h-furo[3,2-c]pyran-4-one
C20H22ClNO3 (359.1288132000001)
(1s,9r,10s)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
2-methyl-4-{4,6,7-trimethoxyfuro[2,3-b]quinolin-5-yl}but-3-ene-2-peroxol
C19H21NO6 (359.13688060000004)
(1s,19s,20r)-9,20-dimethoxy-5,7-dioxa-14-azapentacyclo[12.7.0.0¹,¹⁷.0²,¹⁰.0⁴,⁸]henicosa-2,4(8),9,17-tetraen-19-ol
methyl 4-[(3s)-3-methoxy-3,7-dimethyl-4,11-dioxo-2-oxa-6-azatricyclo[7.3.1.0⁵,¹³]trideca-1(12),5(13),7,9-tetraen-6-yl]butanoate
C19H21NO6 (359.13688060000004)
2-(3-{1h,2h,3h,4h,9h-pyrido[3,4-b]indol-1-yl}propyl)isoindole-1,3-dione
(7r,8r)-4,8-dimethoxy-8-(3-methylbut-2-en-1-yl)-5h,6h,7h-furo[2,3-b]quinolin-7-yl acetate
5-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
(1s,10s)-4,5,11,12-tetramethoxy-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
19-(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
9,20-dimethoxy-5,7-dioxa-14-azapentacyclo[12.7.0.0¹,¹⁷.0²,¹⁰.0⁴,⁸]henicosa-2,4(8),9,17-tetraen-19-ol
12-hydroxy-7,8,11-trimethoxy-1h,2h,10h,11h,12h-indolo[7a,1-a]isoquinoline-4,5-dione
C19H21NO6 (359.13688060000004)
6-[(2e,4e)-5-(3-chloro-1h-pyrrol-2-yl)penta-2,4-dien-2-yl]-4-methoxy-3-(2-methylbut-3-en-2-yl)pyran-2-one
C20H22ClNO3 (359.1288132000001)
21-methyl-1-(2-oxopropyl)-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
(3e)-2-methyl-4-{4,6,7-trimethoxyfuro[2,3-b]quinolin-5-yl}but-3-ene-2-peroxol
C19H21NO6 (359.13688060000004)
(1r,8s,10s)-8-hydroxy-3,4,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,12-tetraen-11-one
4,5,11,12-tetramethoxy-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
(1s,10s)-5-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
(2r)-6-[(1e,3e)-4-(3-chloro-1h-pyrrol-2-yl)-3-methylbuta-1,3-dien-1-yl]-2,3,3,7-tetramethyl-2h-furo[3,2-c]pyran-4-one
C20H22ClNO3 (359.1288132000001)
18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-11-yl acetate
C19H21NO6 (359.13688060000004)