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Substance Name: Sulfonium, dodecylmethyl(3-(p-nitrobenzamido)propyl)-, bromide
RN: 56492-07-0
InChIKey: JFDWNRHIILKBKX-UHFFFAOYSA-N

Molecular Formula

  • C23-H39-N2-O3-S.Br

Molecular Weight

  • 503.5421
 
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Names and Synonyms

Synonyms

  • 3-(p-Nitrobenzamido)propyl-methyl-dodecyl sulfonium bromide
  • Dodecylmethyl(3-(p-nitrobenzamido)propyl)sulfonium bromide

Systematic Name

  • Sulfonium, dodecylmethyl(3-(p-nitrobenzamido)propyl)-, bromide

Registry Numbers

CAS Registry Number

  • 56492-07-0

System Generated Number

  • 0056492070

Molecular Formulas

Molecular Formula

  • C23-H39-N2-O3-S.Br

Molecular Formula Fragments

  • Br
  • C23-H39-N2-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C23H38N2O3S.BrH/c1-3-4-5-6-7-8-9-10-11-12-19-29(2)20-13-18-24-23(26)21-14-16-22(17-15-21)25(27)28;/h14-17H,3-13,18-20H2,1-2H3;1H

InChIKey

JFDWNRHIILKBKX-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCC[S+](C)CCCNC(=O)c1ccc(cc1)[N+](=O)[O-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12494,