CARBETOCIN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H69N11O12S
Molecular Weight	988.161
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CARBETOCIN

Structure Search

SMILES

CCC(C)[C@@H]1NC(=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)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O

InChI

InChIKey=NSTRIRCPWQHTIA-DTRKZRJBSA-N

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

HIDE SMILES / InChI

Molecular Formula	C45H69N11O12S
Molecular Weight	988.161
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:49:26 UTC 2023` Edited by `admin` on `Fri Dec 15 15:49:26 UTC 2023`
Record UNII	88TWF8015Y
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CARBETOCIN

Official Name

English

1-BUTYRIC ACID-2-(3-(P-METHOXYPHENYL)-L-ALANINE)OXYTOCIN

Common Name

English

CARBETOCIN [MI]

Common Name

English

O-METHYL-N-(4-SULFANYLBUTANOYL)-L-TYROSYL-L-ISOLEUCYL-L-GLUTAMINYL-L-ASPARAGINYL-L-CYSTEINYL-L-PROLYL-L-LEUCYL-GLYCINAMIDE CYCLIC (1->5)-THIOETHER

Systematic Name

English

PABAL

Brand Name

English

DURATOCIN

Brand Name

English

Carbetocin [WHO-DD]

Common Name

English

CARBETOCIN [USAN]

Common Name

English

FE-992097

Code

English

CARBETOCIN [MART.]

Common Name

English

carbetocin [INN]

Common Name

English

LV-101

Code

English

GLYCINAMIDE, N-(4-MERCAPTO-1-OXOBUTYL)-O-METHYL-L-TYROSYL-L-ISOLEUCYL-L-GLUTAMINYL-L-ASPARAGINYL-L-CYSTEINYL-L-PROLYL-L-LEUCYL-, CYCLIC (1->5)-THIOETHER

Systematic Name

English

Classification Tree Code System Code

WHO-VATC

QH01BB03

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

EU-Orphan Drug

EU/3/12/975

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

FDA ORPHAN DRUG

423014

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

WHO-ATC

H01BB03

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

NCI_THESAURUS

C548

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

Code System Code Type Description

CHEBI

59204

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

PRIMARY

ECHA (EC/EINECS)

253-312-6

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

PRIMARY

WIKIPEDIA

Carbetocin

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

PRIMARY

DRUG CENTRAL

495

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

PRIMARY

EVMPD

SUB06125MIG

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

PRIMARY

INN

5014

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

PRIMARY

FDA UNII

88TWF8015Y

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

PRIMARY

NCI_THESAURUS

C96858

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

PRIMARY

SMS_ID

100000081320

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

PRIMARY

MESH

C020731

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

PRIMARY

ChEMBL

CHEMBL3301668

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

PRIMARY

EPA CompTox

DTXSID90897527

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

PRIMARY

USAN

HI-212

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

PRIMARY

CAS

37025-55-1

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

PRIMARY

DRUG BANK

DB01282

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

PRIMARY

PUBCHEM

16681432

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

PRIMARY

MERCK INDEX

m3066

Created by admin on Fri Dec 15 15:49:26 UTC 2023 , Edited by admin on Fri Dec 15 15:49:26 UTC 2023

PRIMARY

Merck Index

Related Record Type Details


					R5JHP4HE9T

OXYTOCIN RECEPTOR

TARGET -> AGONIST

Related Record Type Details


					88TWF8015Y

ACTIVE MOIETY