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Substance Name: Benzylamine, N,N-bis(2-chloroethyl)-4-methoxy-3-nitro-, hydrochloride
RN: 77905-51-2
InChIKey: KQBVNBUWPUIXDB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-Cl2-N2-O3.Cl-H

Molecular Weight

  • 343.636
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 77905-51-2

System Generated Number

  • 0077905512

Molecular Formulas

Molecular Formula

  • C12-H16-Cl2-N2-O3.Cl-H

Molecular Formula Fragments

  • C12-H16-Cl2-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H16Cl2N2O3.ClH/c1-19-12-3-2-10(8-11(12)16(17)18)9-15(6-4-13)7-5-14;/h2-3,8H,4-7,9H2,1H3;1H

InChIKey

KQBVNBUWPUIXDB-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 104mg/kg (104mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: OTHER CHANGES

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