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Substance Name: Benzeneacetonitrile, alpha-(2-(dimethylamino)ethyl)-alpha-(2-(phenylthio)ethyl)-, monohydrochloride
RN: 41932-64-3
InChIKey: SEMJMWXDRPDXJH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N2-S.Cl-H

Molecular Weight

  • 360.9505
 
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Names and Synonyms

Synonyms

  • alpha-(2-(Dimethylamino)ethyl)-alpha-(2-(phenylthio)ethyl)benzeneacetonitrile hydrochloride
  • alpha-(2-Phenylthioethyl)-alpha-(2-dimethylaminoethyl)phenylacetonitrile hydrochloride

Systematic Name

  • Benzeneacetonitrile, alpha-(2-(dimethylamino)ethyl)-alpha-(2-(phenylthio)ethyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 41932-64-3

System Generated Number

  • 0041932643

Molecular Formulas

Molecular Formula

  • C20-H24-N2-S.Cl-H

Molecular Formula Fragments

  • C20-H24-N2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24N2S.ClH/c1-22(2)15-13-20(17-21,18-9-5-3-6-10-18)14-16-23-19-11-7-4-8-12-19;/h3-12H,13-16H2,1-2H3;1H

InChIKey

SEMJMWXDRPDXJH-UHFFFAOYSA-N

Smiles

CN(C)CCC(CCSc1ccccc1)(C#N)c2ccccc2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 30mg/kg (30mg/kg) VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 3808, 1972.