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Substance Name: Benzylamine, N-allyl-o-bromo-N-(3-chloropropyl)-, oxalate
RN: 40616-84-0
InChIKey: DTNUGUVEXBLWGG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-Br-Cl-N.C2-H2-O4

Molecular Weight

  • 392.675
 
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Names and Synonyms

Synonym

  • N-Allyl-o-bromo-N-(3-chloropropyl)benzylamine oxalate

Systematic Name

  • Benzylamine, N-allyl-o-bromo-N-(3-chloropropyl)-, oxalate

Registry Numbers

CAS Registry Number

  • 40616-84-0

System Generated Number

  • 0040616840

Molecular Formulas

Molecular Formula

  • C13-H17-Br-Cl-N.C2-H2-O4

Molecular Formula Fragments

  • C13-H17-Br-Cl-N
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H17BrClN.C2H2O4/c1-2-9-16(10-5-8-15)11-12-6-3-4-7-13(12)14;3-1(4)2(5)6/h2-4,6-7H,1,5,8-11H2;(H,3,4)(H,5,6)

InChIKey

DTNUGUVEXBLWGG-UHFFFAOYSA-N

Smiles

c1(C[N@@H+](CC=C)CCCCl)c(cccc1)Br.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Acta Pharmaceutica Suecica. Vol. 10, Pg. 29, 1973.
mouse LD50 intravenous 100mg/kg (100mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Acta Pharmaceutica Suecica. Vol. 10, Pg. 29, 1973.