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Substance Name: Carbetocin [INN:BAN]
RN: 37025-55-1
UNII: 88TWF8015Y
InChIKey: NSTRIRCPWQHTIA-DTRKZRJBSA-N

Classification Codes

  • Delayed-Action Preparations
  • Oxytocics
  • Reproductive Control Agents

Molecular Formula

  • C45-H69-N11-O12-S

Molecular Weight

  • 988.1711
 
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Names and Synonyms

Name of Substance

  • Carbetocin
  • Carbetocin [INN:BAN]

Synonyms

  • 1-Buttersaeure-2-(3-(4-methoxyphenyl)-L-alanin)oxytocin
  • 1-Butyric acid-2-(3-(p-methoxyphenyl)-L-alanine)oxytocin
  • Carbetocin
  • Carbetocino
  • Carbetocino [INN-Spanish]
  • Carbetocinum
  • Carbetocinum [INN-Latin]
  • EINECS 253-312-6
  • UNII-88TWF8015Y

Systematic Names

  • 1-Butyric acid-2-(3-(p-methoxyphenyl)-L-alanine)oxytocin
  • 1-Carbaoxytocin, 1-butanoic acid-2-(O-methyl-L-tyrosine)-
  • 1-Carboxytocin, 1-butanoic acid-2-(O-methyl-L-tyrosine)-
  • Carbetocin

Registry Numbers

CAS Registry Number

  • 37025-55-1

FDA UNII

  • 88TWF8015Y

System Generated Number

  • 0037025551

Structure Descriptors

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

InChIKey

NSTRIRCPWQHTIA-DTRKZRJBSA-N

Smiles

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSCCCC(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)OC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N