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Substance Name: Bisdequalinium diacetate [JAN]
RN: 3785-44-2
UNII: 48RW3M5575
InChIKey: GCWKUHNKKWYKOP-BGRABRFLSA-N

Molecular Formula

  • C40-H58-N4.2C2-H3-O2

Molecular Weight

  • 713.014
 
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Names and Synonyms

Name of Substance

  • Bisdequalinium diacetate [JAN]

Synonyms

  • 6,7,8,9,10,11,12,13,14,15,16,17,24,25,26,27,28,29,30,31,32,33-Docosahydro-35,37-dimethyl-5,34:18,23-diethenodibenzo(b,r)(1,5,16,20)tetraazacyclotriacontine-23,24-diium diacetate
  • Bisdequalinium diacetate
  • EINECS 223-252-5
  • Salvisol
  • Salvizol
  • UNII-48RW3M5575

Systematic Name

  • 6,7,8,9,10,11,12,13,14,15,16,17,24,25,26,27,28,29,30,31,32,33-Docosahydro-35,37-dimethyl-5,34:18,23-diethenodibenzo(b,r)(1,5,16,20)tetraazacyclotriacontine-23,34-diium diacetate

Registry Numbers

CAS Registry Number

  • 3785-44-2

FDA UNII

  • 48RW3M5575

Related Registry Number

  • 16776-40-2 (Parent)

System Generated Number

  • 0003785442

Molecular Formulas

Molecular Formula

  • C40-H58-N4.2C2-H3-O2

Molecular Formula Fragments

  • C2-H3-O2
  • C40-H58-N4
  • COMPONENT

Structure Descriptors

InChI

1S/C40H56N4.2C2H4O2/c1-33-31-37-35-23-15-17-25-39(35)43(33)29-21-13-9-5-6-10-14-22-30-44-34(2)32-38(36-24-16-18-26-40(36)44)42-28-20-12-8-4-3-7-11-19-27-41-37;2*1-2(3)4/h15-18,23-26,31-32H,3-14,19-22,27-30H2,1-2H3;2*1H3,(H,3,4)/b41-37+,42-38+;;

InChIKey

GCWKUHNKKWYKOP-BGRABRFLSA-N

Smiles

[n+]12c3c(cccc3)c(cc2C)NCCCCCCCCCCNc2cc(C)[n+](CCCCCCCCCC1)c1c2cccc1.[O-]C(C)=O.[O-]C(C)=O