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Substance Name: Benzylamine, N,N-bis(2-chloroethyl)-4-ethoxy-3-nitro-, hydrochloride
RN: 77905-52-3
InChIKey: CWAWACLVCCFRFP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-Cl2-N2-O3.Cl-H

Molecular Weight

  • 357.663
 
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Names and Synonyms

Synonyms

  • 4-Ethoxy-3-nitrobenzyl-bis(2-chloroethyl)amine hydrochloride
  • N,N-Bis(2-chloroethyl)-4-ethoxy-3-nitro-benzylamine hydrochloride

Systematic Name

  • Benzylamine, N,N-bis(2-chloroethyl)-4-ethoxy-3-nitro-, hydrochloride

Registry Numbers

CAS Registry Number

  • 77905-52-3

System Generated Number

  • 0077905523

Molecular Formulas

Molecular Formula

  • C13-H18-Cl2-N2-O3.Cl-H

Molecular Formula Fragments

  • C13-H18-Cl2-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H18Cl2N2O3.ClH/c1-2-20-13-4-3-11(9-12(13)17(18)19)10-16(7-5-14)8-6-15;/h3-4,9H,2,5-8,10H2,1H3;1H

InChIKey

CWAWACLVCCFRFP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 155mg/kg (155mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: OTHER CHANGES

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Pharmaceutical Chemistry Journal Vol. 15, Pg. 81, 1981.