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Substance Name: 2'-Dehydropipecuronium
RN: 120301-02-2
InChIKey: SNFVBPSRBTWAIZ-ASRDMXTLSA-L

Note

  • An impurity of pipecuronium bromide due to oxidative degradation.

Molecular Formula

  • C35-H60-N4-O4.2Br

Molecular Weight

  • 760.691
 
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Names and Synonyms

Name of Substance

  • 2'-Dehydropipecuronium

Synonym

  • 2'-Dehydropipecuronium bromide

Systematic Name

  • Pyrazinium, 4-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)-2-(4,4-dimethylpiperazinium-1-yl)androstan-16-yl)-1,2,3,4-tetrahydro-1,1-dimethyl-, dibromide

Registry Numbers

CAS Registry Number

  • 120301-02-2

System Generated Number

  • 0120301022

Molecular Formulas

Molecular Formula

  • C35-H60-N4-O4.2Br

Molecular Formula Fragments

  • Br
  • C35-H60-N4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C35H60N4O4.2BrH/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36;;/h13,17,26-33H,9-12,14-16,18-23H2,1-8H3;2*1H/q+2;;/p-2/t26-,27?,28?,29?,30?,31-,32-,33-,34-,35-;;/m0../s1

InChIKey

SNFVBPSRBTWAIZ-ASRDMXTLSA-L

Smiles

C1CN(C=C[N+]1(C)C)[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4C[C@@H]([C@H](C[C@@]4([C@@H]3CC[C@@]2([C@H]1OC(=O)C)C)C)N1CC[N+](CC1)(C)C)OC(=O)C.[BrH-].[BrH-]