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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/CHEBI_59204
http://purl.obolibrary.org/obo/CHEBI_59204
|
|---|---|
| Preferred Name | carbetocin |
| Synonyms |
carbetocino
carbetocinum
C45H69N11O12S
1-butyric acid-2-(3-(p-methoxyphenyl)-L-alanine)oxytocin
deamino-2-O-methyltyrosine-1-carbaoxytocin
(2S)-2-{[(2S)-1-{[(3R,6S,9S,12S,15S)-12-[(2S)-butan-2-yl]-9-(2-carbamoylethyl)-6-(carbamoylmethyl)-15-[(4-methoxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosan-3-yl]carbonyl}pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)-4-methylpentanamide
carbetocin
1-butanoic acid-2-(O-methyl-L-tyrosine)-1-carbaoxytocin
1-{[(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-(4-methoxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosan-3-yl]carbonyl}-L-prolyl-L-leucylglycinamide
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| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | carbetocin
|
|---|---|
| label | carbetocin
|
| DBSynonym |
carbetocino [inn-spanish]
carbetocinum [inn-latin]
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| ATCCode | H01BB03
|
| Definition | Oxytocin in which the hydrogen on the phenolic hydroxy group is substituted by methyl, the amino group on the cysteine residue is substituted by hydrogen, and the sulfur of the cysteine residue is replaced by a methylene group. A synthetic carba-analogue of oxytocin, it is used to control bleeding after giving birth. Like oxytocin, it causes contraction of the uterus.
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| has pharmacological target | |
| activates | |
| type | |
| has role | |
| InChIKey | InChIKey=NSTRIRCPWQHTIA-DTRKZRJBSA-N
|
| AHFScode | 76:00.00
|
| Synonym | carbetocino
carbetocinum
C45H69N11O12S
1-butyric acid-2-(3-(p-methoxyphenyl)-L-alanine)oxytocin
deamino-2-O-methyltyrosine-1-carbaoxytocin
(2S)-2-{[(2S)-1-{[(3R,6S,9S,12S,15S)-12-[(2S)-butan-2-yl]-9-(2-carbamoylethyl)-6-(carbamoylmethyl)-15-[(4-methoxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosan-3-yl]carbonyl}pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)-4-methylpentanamide
carbetocin
1-butanoic acid-2-(O-methyl-L-tyrosine)-1-carbaoxytocin
1-{[(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-(4-methoxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosan-3-yl]carbonyl}-L-prolyl-L-leucylglycinamide
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| xref |
DrugBank:DB01282
KEGG DRUG:D07229
CASRN:37025-55-1
PharmGKB:PA164743086
ChEBI:59204
Wikipedia:http://en.wikipedia.org/wiki/Carbetocin
Patent:DE2732175
Drugs Product Database (DPD):2231593
Beilstein:9985308
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| CASRN | 37025-55-1
|
| prefixIRI | obo2:CHEBI_59204
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| SMILES | [H][C@]1(NC(=O)[C@H](CC2=CC=C(OC)C=C2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC
[H][C@]1(NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC
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| may interact with | |
| DBname | carbetocin
|
| InChI | InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1
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| subClassOf |
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