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Substance Name: Zinc(4+), bis(2-(2-(4-((2-cyanoethyl)(2-(2,5-dioxo-1-pyrrolidinyl)ethyl)amino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-3H-indolium)-, sulfate (1:2)
RN: 64282-98-0
InChIKey: AYOLWRQVILWTMX-WNHODISBSA-J

Molecular Formula

  • C58-H66-N8-O4-Zn.2O4-S

Molecular Weight

  • 728.1276
 
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Names and Synonyms

Synonym

  • 2-(4'-((N-(beta-Cyanoethyl)-N-(beta-succinimidoethyl))amino)-2'-methylstyryl)-1,3,3-trimethylindolinum sulfate zinc sulfate double salt

Systematic Name

  • Zinc(4+), bis(2-(2-(4-((2-cyanoethyl)(2-(2,5-dioxo-1-pyrrolidinyl)ethyl)amino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-3H-indolium)-, sulfate (1:2)

Registry Numbers

CAS Registry Number

  • 64282-98-0

System Generated Number

  • 0064282980

Molecular Formulas

Molecular Formula

  • C58-H66-N8-O4-Zn.2O4-S

Molecular Formula Fragments

  • C58-H66-N8-O4-Zn
  • COMPONENT
  • O4-S

Structure Descriptors

InChI

1S/C29H34N4O2.2H2O4S.Zn/c1-21-20-23(32(17-7-16-30)18-19-33-27(34)14-15-28(33)35)12-10-22(21)11-13-26-29(2,3)24-8-5-6-9-25(24)31(26)4;2*1-5(2,3)4;/h5-6,8-13,20,26H,7,14-15,17-19H2,1-4H3;2*(H2,1,2,3,4);/q;;;+4/p-4/b13-11+;;;

InChIKey

AYOLWRQVILWTMX-WNHODISBSA-J

Smiles

Cc1cc(ccc1/C=C/C2C(c3ccccc3N2C)(C)C)N(CCC#N)CCN4C(=O)CCC4=O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zn+4]