ATOSIBAN

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H67N11O12S2
Molecular Weight	994.189
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ATOSIBAN

Structure Search

SMILES

[H][C@]1(NC(=O)[C@@]([H])(NC(=O)[C@@H](CC2=CC=C(OCC)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)[C@@H](C)CC)[C@@H](C)O

InChI

InChIKey=VWXRQYYUEIYXCZ-OBIMUBPZSA-N

InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

ATOSIBAN

Official Name

English

ATOSIBAN [MI]

Common Name

English

ORF 22164

Code

English

CAP-476

Code

English

atosiban [INN]

Common Name

English

ATOSIBAN [USAN]

Common Name

English

ORF-22164

Code

English

RW-22164

Code

English

ANTOCILE

Brand Name

English

F-314

Code

English

ATOSIBAN [MART.]

Common Name

English

RWJ-22164

Code

English

TRACTOCILE

Brand Name

English

1-(3-MERCAPTOPROPIONIC ACID)-2-(3-(P-ETHOXYPHENYL)-D-ALANINE)-4-L-THREONINE-8-L-ORNITHINEOXYTOCIN

Common Name

English

ANTOCIN II

Brand Name

English

ANTOCIN

Brand Name

English

GLYCINAMIDE, O-ETHYL-N-(3-MERCAPTO-1-OXOPROPYL)-D-TYROSYL-L-ISOLEUCYL-L-THREONYL-L-ASPARAGINYL-L-CYSTEINYL-L-PROLYL-L-ORNITHYL-, CYCLIC (1->5)-DISULFIDE

Systematic Name

English

OXYTOCIN, 1-(3-MERCAPTOPROPANOIC ACID)-2-(O-ETHYL-D-TYROSINE)-4-L-THREONINE-8-L-ORNITHINE-

Common Name

English

Atosiban [WHO-DD]

Common Name

English

RWJ 22164

Code

English

CAP-581

Code

English

TRACTOCIL

Brand Name

English

CAP-449

Code

English

Classification Tree Code System Code

WHO-VATC

QG02CX01

Created by admin on Fri Dec 15 15:58:47 UTC 2023 , Edited by admin on Fri Dec 15 15:58:47 UTC 2023

WHO-ATC

G02CX01

Created by admin on Fri Dec 15 15:58:47 UTC 2023 , Edited by admin on Fri Dec 15 15:58:47 UTC 2023

NCI_THESAURUS

C98292

Created by admin on Fri Dec 15 15:58:47 UTC 2023 , Edited by admin on Fri Dec 15 15:58:47 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID8048991

Created by admin on Fri Dec 15 15:58:47 UTC 2023 , Edited by admin on Fri Dec 15 15:58:47 UTC 2023

PRIMARY

WIKIPEDIA

Atosiban

Created by admin on Fri Dec 15 15:58:47 UTC 2023 , Edited by admin on Fri Dec 15 15:58:47 UTC 2023

PRIMARY

DRUG BANK

DB09059

Created by admin on Fri Dec 15 15:58:47 UTC 2023 , Edited by admin on Fri Dec 15 15:58:47 UTC 2023

PRIMARY

DRUG CENTRAL

3008

Created by admin on Fri Dec 15 15:58:47 UTC 2023 , Edited by admin on Fri Dec 15 15:58:47 UTC 2023

PRIMARY

USAN

Z-44

Created by admin on Fri Dec 15 15:58:47 UTC 2023 , Edited by admin on Fri Dec 15 15:58:47 UTC 2023

PRIMARY

INN

6392

Created by admin on Fri Dec 15 15:58:47 UTC 2023 , Edited by admin on Fri Dec 15 15:58:47 UTC 2023

PRIMARY

MERCK INDEX

m2126

Created by admin on Fri Dec 15 15:58:47 UTC 2023 , Edited by admin on Fri Dec 15 15:58:47 UTC 2023

PRIMARY

Merck Index

PUBCHEM

5311010

Created by admin on Fri Dec 15 15:58:47 UTC 2023 , Edited by admin on Fri Dec 15 15:58:47 UTC 2023

PRIMARY

SMS_ID

100000085242

Created by admin on Fri Dec 15 15:58:47 UTC 2023 , Edited by admin on Fri Dec 15 15:58:47 UTC 2023

PRIMARY

RXCUI

59639

Created by admin on Fri Dec 15 15:58:47 UTC 2023 , Edited by admin on Fri Dec 15 15:58:47 UTC 2023

PRIMARY

RxNorm

CAS

90779-69-4

Created by admin on Fri Dec 15 15:58:47 UTC 2023 , Edited by admin on Fri Dec 15 15:58:47 UTC 2023

PRIMARY

ChEMBL

CHEMBL382301

Created by admin on Fri Dec 15 15:58:47 UTC 2023 , Edited by admin on Fri Dec 15 15:58:47 UTC 2023

PRIMARY

EVMPD

SUB05601MIG

Created by admin on Fri Dec 15 15:58:47 UTC 2023 , Edited by admin on Fri Dec 15 15:58:47 UTC 2023

PRIMARY

NCI_THESAURUS

C84815

Created by admin on Fri Dec 15 15:58:47 UTC 2023 , Edited by admin on Fri Dec 15 15:58:47 UTC 2023

PRIMARY

IUPHAR

2213

Created by admin on Fri Dec 15 15:58:47 UTC 2023 , Edited by admin on Fri Dec 15 15:58:47 UTC 2023

PRIMARY

FDA UNII

081D12SI0Z

Created by admin on Fri Dec 15 15:58:47 UTC 2023 , Edited by admin on Fri Dec 15 15:58:47 UTC 2023

PRIMARY

MESH

C047046

Created by admin on Fri Dec 15 15:58:47 UTC 2023 , Edited by admin on Fri Dec 15 15:58:47 UTC 2023

PRIMARY

ACTIVE MOIETY


					081D12SI0Z

ATOSIBAN

SALT/SOLVATE (PARENT)


					0P5DNO7CEF

ATOSIBAN ACETATE