Chemical Compound

Atosiban acetate

CAS Registry Number 914453-95-5
Atosiban acetate chemical structure
Primary Record

Atosiban acetate

In stock
7,470 g
Purity
99.8 %
CAS
914453-95-5

Compound Identifiers & Properties

CAS
914453-95-5
PubChem CID
87665603
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@@H](C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)CC(=O)N)[C@@H](C)O.CC(=O)O
Canonical SMILES
CC(=O)O.CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1

Names & Synonyms

  • Atosiban acetate
  • Antocin acetate
  • Tractocile
  • Antocin
  • Tractocile;
  • 0P5DNO7CEF
  • 914453-95-5
  • UNII-0P5DNO7CEF
  • Atosiban (as acetate)
  • RefChem:115453
  • Orf-22164
  • ATOSIBAN ACETATE [WHO-DD]
  • SCHEMBL4410202
  • ATOSIBAN ACETATE [EMA EPAR]
  • CHEMBL5315050
  • yrrolidine-2-carboxamide acetate
  • C45H71N11O14S2
  • DTXCID60161060
  • DTXSID60238569
  • WZG0202
  • MFCD08692014
  • GLXC-23433
  • 914453-95-5 (acetate)
  • EX-A7437
  • AKOS030485985
  • FA40914
  • DA-50781
  • 5386S
  • G13510
  • 779A694
  • A903968
  • Q27237053
  • (Deamino-Cys1,D-Tyr(Et)2,Thr4,Orn8)-Oxytocin Acetate
  • 90779-69-4
  • 2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)p
  • 1-{[7-(2-amino-2-oxoethyl)-13-sec-butyl-16-(4-ethoxybenzyl)-
  • acetic acid;(2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
  • 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, ACETATE (1:1)
  • 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, MONOACETATE (SALT)
  • 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)-DISULPHIDE, ACETATE (1:1)
  • 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)-DISULPHIDE, MONOACETATE (SALT)
  • OXYTOCIN, 1-(3-MERCAPTOPROPANOIC ACID)-2-(O-ETHYL-D-TYROSINE)-4-L-THREONINE-8-L-ORNITHINE-, ACETATE
  • (S)-N-((S)-5-amino-1-((2-amino-2-oxoethyl)amino)-1-oxopentan-2-yl)-1-((4R,7S,10S,13S,16R)-7-(2-amino-2-oxoethyl)-13-((S)-sec-butyl)-16-(4-ethoxybenzyl)-10-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,
  • (S)-N-((S)-5-amino-1-((2-amino-2-oxoethyl)amino)-1-oxopentan-2-yl)-1-((4R,7S,10S,13S,16R)-7-(2-amino-2-oxoethyl)-13-((S)-sec-butyl)-16-(4-ethoxybenzyl)-10-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamide acetate
  • acetic acid;(2S)-N-[(1S)-4-amino-1-[(2-amino-2-oxo-ethyl)carbamoyl]butyl]-1-[(4R,7S,10S,13S,16R)-7-(2-amino-2-oxo-ethyl)-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-13-[(1S)-1-methylpropyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
  • 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, acetate (1:1)
  • 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, acetate (1:1); 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, monoacetate (salt) (9CI); Atosiban acetate