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Substance Name: Benzenesulfonic acid, 2,4,6-trinitro-, compd. with 4-chloro-N-(2-chloroethyl)dibutylamine
RN: 97595-29-4
InChIKey: SBXVSYXMXYTVSI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H21-Cl2-N.C6-H3-N3-O9-S

Molecular Weight

  • 519.3566
 
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Names and Synonyms

Synonyms

  • 4-Chloro-N-(2-chloroethyl)dibutylamine picrylsulfonate
  • Dibutylamine, 4-chloro-N-(2-chloroethyl)-, picrylsulfonate
  • N-(2-Chloroethyl)-4-chlorodibutylamine picrylsulfonate

Systematic Name

  • Benzenesulfonic acid, 2,4,6-trinitro-, compd. with 4-chloro-N-(2-chloroethyl)dibutylamine

Registry Numbers

CAS Registry Number

  • 97595-29-4

System Generated Number

  • 0097595294

Molecular Formulas

Molecular Formula

  • C10-H21-Cl2-N.C6-H3-N3-O9-S

Molecular Formula Fragments

  • C10-H21-Cl2-N
  • C6-H3-N3-O9-S
  • COMPONENT

Structure Descriptors

InChI

1S/C10H21Cl2N.C6H3N3O9S/c1-2-3-8-13(10-7-12)9-5-4-6-11;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h2-10H2,1H3;1-2H,(H,16,17,18)

InChIKey

SBXVSYXMXYTVSI-UHFFFAOYSA-N

Smiles

c1(c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])S(=O)(=O)O.N(CCCl)(CCCCCl)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 375mg/kg (375mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 10, Pg. 390, 1962.