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Substance Name: Atosiban [USAN:INN:BAN]
RN: 90779-69-4
UNII: 081D12SI0Z
InChIKey: VWXRQYYUEIYXCZ-OBIMUBPZSA-N

Note

  • Oxytocin and vasopressin antagonist.

Molecular Formula

  • C43-H67-N11-O12-S2

Molecular Weight

  • 994.1993
 

Classification Codes

  • Antagonist (Oxytocin)
  • Drug / Therapeutic Agent
  • Hormone Antagonists
  • Hormones, Hormone Substitutes, and Hormone Antagonists
  • Human Data
  • Reproductive Control Agents
  • Reproductive Effect
  • Tocolytic Agents
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Names and Synonyms

Name of Substance

  • Atosiban
  • Atosiban [USAN:INN:BAN]

Synonyms

  • 1-(3-Mercaptopropionic acid)-2-(3-(p-ethoxyphenyl)-D-alanine)-4-L-threonine-8-L-ornithineoxytocin
  • 1-Deamino-2D-tyr-(OEt)-4-thr-8-orn-oxytocin
  • Atosiban
  • Atosibanum
  • Atosibanum [INN-Latin]
  • ORF 22164
  • RWJ 22164
  • Tractocile
  • UNII-081D12SI0Z

Systematic Name

  • Oxytocin, 1-(3-mercaptopropanoic acid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithine-

Registry Numbers

CAS Registry Number

  • 90779-69-4

FDA UNII

  • 081D12SI0Z

System Generated Number

  • 0090779694

Structure Descriptors

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

InChIKey

VWXRQYYUEIYXCZ-OBIMUBPZSA-N

Smiles

CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)cc1