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Substance Name: Oxytocin acetate
RN: 6233-83-6
UNII: 4NR672T8NL
InChIKey: DSZOEVVLZMNAEH-BXUJZNQYSA-N

Molecular Formula

  • C43-H66-N12-O12-S2.C2-H4-O2

Molecular Weight

  • 1067.25
 
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Names and Synonyms

Name of Substance

  • Oxytocin acetate

Synonyms

  • EINECS 228-347-5
  • UNII-4NR672T8NL

Systematic Name

  • Oxytocin, monoacetate (salt)

Registry Numbers

CAS Registry Number

  • 6233-83-6

FDA UNII

  • 4NR672T8NL

System Generated Number

  • 0006233836

Molecular Formulas

Molecular Formula

  • C43-H66-N12-O12-S2.C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C43-H66-N12-O12-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C43H66N12O12S2.C2H4O2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59;1-2(3)4/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64);1H3,(H,3,4)/t22-,25-,26-,27-,28-,29-,30-,31-,35-;/m0./s1

InChIKey

DSZOEVVLZMNAEH-BXUJZNQYSA-N

Smiles

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[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.CC(=O)O