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Substance Name: Demoxytocin [INN]
RN: 113-78-0
UNII: 2N9HM3X95F
InChIKey: GTYWGUNQAMYZPF-QPLNMOKZSA-N

Note

  • Octa-peptide lacking free amino group on cystine residue.

Classification Codes

  • Oxytocics
  • Reproductive Control Agents

Molecular Formula

  • C43-H65-N11-O12-S2

Molecular Weight

  • 992.1835
 
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Names and Synonyms

Name of Substance

  • Deaminooxytocin
  • Demoxytocin [INN]

Synonyms

  • Demossitocina
  • Demossitocina [DCIT]
  • Demoxitocina
  • Demoxitocina [INN-Spanish]
  • Demoxytocin
  • Demoxytocine
  • Demoxytocine [INN-French]
  • Demoxytocinum
  • Demoxytocinum [INN-Latin]
  • EINECS 204-034-9
  • ODA 914
  • Sandopart
  • UNII-2N9HM3X95F

Systematic Names

  • 1-(3-Mercaptopropionic acid)-oxytocin
  • Demoxytocin

Registry Numbers

CAS Registry Number

  • 113-78-0

FDA UNII

  • 2N9HM3X95F

System Generated Number

  • 0000113780

Structure Descriptors

InChI

1S/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1

InChIKey

GTYWGUNQAMYZPF-QPLNMOKZSA-N

Smiles

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N