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Substance Name: Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester, hydrochloride
RN: 24813-09-0
InChIKey: CJDDLBADTXSUEK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H26-Cl2-N2-O2.Cl-H

Molecular Weight

  • 397.771
 
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Names and Synonyms

Synonym

  • m-(Bis(2-chloroethyl)amino)benzoic acid 2-(diethylamino)ethyl ester hydrochloride

Systematic Name

  • Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 24813-09-0

System Generated Number

  • 0024813090

Molecular Formulas

Molecular Formula

  • C17-H26-Cl2-N2-O2.Cl-H

Molecular Formula Fragments

  • C17-H26-Cl2-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H26Cl2N2O2.ClH/c1-3-20(4-2)13-14-23-17(22)15-7-5-6-8-16(15)21(11-9-18)12-10-19;/h5-8H,3-4,9-14H2,1-2H3;1H

InChIKey

CJDDLBADTXSUEK-UHFFFAOYSA-N

Smiles

c1(c(C(OCC[NH+](CC)CC)=O)cccc1)N(CCCl)CCCl.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 286mg/kg (286mg/kg)   Cancer Treatment Reports. Vol. 62, Pg. 2045, 1978.