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Substance Name: Benzylamine, N-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, hydrochloride
RN: 63991-06-0
InChIKey: IWGXWWNPWMLNMY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H28-Cl-N-O.Cl-H

Molecular Weight

  • 382.372
 
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Names and Synonyms

Synonyms

  • 2-Isopropylphenoxyisopropylbenzyl-beta-chloroethylamine hydrochloride
  • SKF 1001-A

Systematic Name

  • Benzylamine, N-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 63991-06-0

System Generated Number

  • 0063991060

Molecular Formulas

Molecular Formula

  • C21-H28-Cl-N-O.Cl-H

Molecular Formula Fragments

  • C21-H28-Cl-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H28ClNO.ClH/c1-17(2)20-11-7-8-12-21(20)24-16-18(3)23(14-13-22)15-19-9-5-4-6-10-19;/h4-12,17-18H,13-16H2,1-3H3;1H

InChIKey

IWGXWWNPWMLNMY-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C(C)C)OC[C@@H]([N@@H+](Cc1ccccc1)CCCl)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 1gm/kg (1000mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 101, Pg. 379, 1951.