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Substance Name: Dimethyltubocurarinium chloride [INN]
RN: 33335-58-9
UNII: 15BE4G33H2
InChIKey: IRPSJVWFSWAZSZ-OIUSMDOTSA-L

Molecular Formulas

  • C40-H48-Cl2-N2-O6
  • C40-H48-N2-O6.2Cl

Molecular Weight

  • 723.733
 
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Names and Synonyms

Name of Substance

  • Dimethyltubocurarinium chloride [INN]

Synonyms

  • 6,6',7',12'-Tetramethoxy-2,2,2',2'-tetramethyltubocuraranium dichloride
  • Chlorure de dimethyltubocurarinium
  • Chlorure de dimethyltubocurarinium [INN-French]
  • Cloruro de dimetiltubocurarinio
  • Cloruro de dimetiltubocurarinio [INN-Spanish]
  • Dimethyltubocurarinii chloridum
  • Dimethyltubocurarinii chloridum [INN-Latin]
  • Dimethyltubocurarinium chloride
  • Dimetiltubocurarinio cloruro
  • Dimetiltubocurarinio cloruro [DCIT]
  • EINECS 251-461-1
  • UNII-15BE4G33H2

Systematic Names

  • Dimethyltubocurarinium chloride
  • O,O-Dimethyl-(+)-tubocurarine chloride
  • Tubocuraranium, 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyl-, dichloride

Registry Numbers

CAS Registry Number

  • 33335-58-9

FDA UNII

  • 15BE4G33H2

Related Registry Number

  • 5152-30-7 (Parent)

System Generated Number

  • 0033335589

Molecular Formulas

Molecular Formulas

  • C40-H48-Cl2-N2-O6
  • C40-H48-N2-O6.2Cl

Molecular Formula Fragments

  • C40-H48-N2-O6
  • Cl
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C40H48N2O6.2ClH/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36;;/h9-14,21-24,31-32H,15-20H2,1-8H3;2*1H/q+2;;/p-2/t31-,32+;;/m0../s1

InChIKey

IRPSJVWFSWAZSZ-OIUSMDOTSA-L

Smiles

[Cl-].[Cl-].COc1ccc2C[C@@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4Oc5ccc(C[C@H]6c7cc(Oc1c2)c(OC)cc7CC[N+]6(C)C)cc5