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Substance Name: Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester
RN: 76464-79-4
InChIKey: FNBAPWOLPLMSLI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H26-Cl2-N2-O2

Molecular Weight

  • 361.31
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 76464-79-4

System Generated Number

  • 0076464794

Structure Descriptors

InChI

1S/C17H26Cl2N2O2/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

InChIKey

FNBAPWOLPLMSLI-UHFFFAOYSA-N

Smiles

c1(c(C(OCCN(CC)CC)=O)cccc1)N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 270mg/kg (270mg/kg)   Neoplasma. Vol. 27, Pg. 271, 1980.