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Substance Name: Quinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate
RN: 5563-10-0
InChIKey: DQAGEPHQBJVYSE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-Cl2-N2.C7-H7-O3-S

Molecular Weight

  • 532.509
 
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Names and Synonyms

Synonyms

  • 1-(p-(Bis(2-chloroethyl)amino)benzyl)quinolinium toluenesulfonate
  • NSC 82652

Systematic Names

  • Quinolinium, 1-((4-(bis(2-chloroethyl)amino)phenyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1) (9CI)
  • Quinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 5563-10-0

System Generated Number

  • 0005563100

Molecular Formulas

Molecular Formula

  • C20-H21-Cl2-N2.C7-H7-O3-S

Molecular Formula Fragments

  • C20-H21-Cl2-N2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H21Cl2N2.C7H8O3S/c21-11-14-23(15-12-22)19-9-7-17(8-10-19)16-24-13-3-5-18-4-1-2-6-20(18)24;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,13H,11-12,14-16H2;2-5H,1H3,(H,8,9,10)/q+1;

InChIKey

DQAGEPHQBJVYSE-UHFFFAOYSA-N

Smiles

c1(S(=O)(O)=O)ccc(C)cc1.[n+]1(cccc2ccccc12)Cc1ccc(cc1)N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02680,