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Substance Name: Behenamidopropyl ethyldimonium ethosulfate
RN: 68797-65-9
UNII: 75GI9VN0RS
InChIKey: TWZQMJMHQQZDPA-UHFFFAOYSA-N

Molecular Formula

  • C29-H61-N2-O.C2-H5-O4-S

Molecular Weight

  • 578.937
 
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Names and Synonyms

Name of Substance

  • Behenamidopropyl ethyldimonium ethosulfate

Synonym

  • UNII-75GI9VN0RS

Systematic Names

  • 1-Propanaminium, N-ethyl-N,N-dimethyl-3-((1-oxodocosyl)amino)-, ethyl sulfate
  • 1-Propanaminium, N-ethyl-N,N-dimethyl-3-((1-oxodocosyl)amino)-, ethyl sulfate (1:1)

Registry Numbers

CAS Registry Number

  • 68797-65-9

FDA UNII

  • 75GI9VN0RS

System Generated Number

  • 0068797659

Molecular Formulas

Molecular Formula

  • C29-H61-N2-O.C2-H5-O4-S

Molecular Formula Fragments

  • C2-H5-O4-S
  • C29-H61-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C29H60N2O.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29(32)30-27-25-28-31(3,4)6-2;1-2-6-7(3,4)5/h5-28H2,1-4H3;2H2,1H3,(H,3,4,5)

InChIKey

TWZQMJMHQQZDPA-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CC)(C)C.S(OCC)(=O)(=O)[O-]