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Substance Name: Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, 2-(diethylamino)ethyl ester (9CI)
RN: 58278-35-6
InChIKey: SUXXQPYIEOMRBY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H28-Cl2-N2-O2

Molecular Weight

  • 375.3372
 
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Names and Synonyms

Synonyms

  • 3-(Bis(2-chloroethyl)amino)-p-toluic acid 2-(diethylamino)ethyl ester
  • BRN 3106358

Systematic Names

  • Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, 2-(diethylamino)ethyl ester (9CI)
  • p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester

Registry Numbers

CAS Registry Number

  • 58278-35-6

System Generated Number

  • 0058278356

Structure Descriptors

InChI

1S/C18H28Cl2N2O2/c1-4-21(5-2)12-13-24-18(23)16-7-6-15(3)17(14-16)22(10-8-19)11-9-20/h6-7,14H,4-5,8-13H2,1-3H3

InChIKey

SUXXQPYIEOMRBY-UHFFFAOYSA-N

Smiles

CCN(CC)CCOC(=O)c1ccc(c(c1)N(CCCl)CCCl)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 20mg/kg (20mg/kg)   Cancer Treatment Reports. Vol. 62, Pg. 2045, 1978.