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Substance Name: Dequalinium undecenate
RN: 20246-15-5
UNII: 89J4L3V7VP
InChIKey: ADVZBZHXUINOFY-UHFFFAOYSA-N

Molecular Formula

  • C30-H40-N4.2C11-H19-O2

Molecular Weight

  • 823.2122
 
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Names and Synonyms

Name of Substance

  • Dequalinium undecenate

Synonyms

  • EINECS 243-639-2
  • UNII-89J4L3V7VP

Systematic Name

  • 1,1'-(Decane-1,10-diyl)bis(4-amino-2-methylquinolinium) diundec-10-enoate

Registry Numbers

CAS Registry Number

  • 20246-15-5

FDA UNII

  • 89J4L3V7VP

System Generated Number

  • 0020246155

Molecular Formulas

Molecular Formula

  • C30-H40-N4.2C11-H19-O2

Molecular Formula Fragments

  • C11-H19-O2
  • C30-H40-N4
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C30H38N4.2C11H20O2/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;2*1-2-3-4-5-6-7-8-9-10-11(12)13/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*2H,1,3-10H2,(H,12,13)

InChIKey

ADVZBZHXUINOFY-UHFFFAOYSA-N

Smiles

Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34.[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C