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Substance Name: Atosiban acetate
RN: 914453-95-5
UNII: 0P5DNO7CEF
InChIKey: SVDWBHHCPXTODI-QIWYXCRTSA-N

Classification Codes

  • Hormone Antagonists
  • Tocolytic Agents

Molecular Weight

  • 1054.2509
 
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Names and Synonyms

Name of Substance

  • Atosiban acetate

Synonym

  • UNII-0P5DNO7CEF

Registry Numbers

CAS Registry Number

  • 914453-95-5

FDA UNII

  • 0P5DNO7CEF

System Generated Number

  • 0914453955

Structure Descriptors

InChI

1S/C43H67N11O12S2.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t23-,24+,27-,28+,29-,30-,31-,35-,36-;/m0./s1

InChIKey

SVDWBHHCPXTODI-QIWYXCRTSA-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.CC(=O)O