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Substance Name: Benzeneacetonitrile, alpha-(3-(dimethylamino)propyl)-alpha-(2-(phenylthio)ethyl)-, monohydrochloride
RN: 41932-68-7
InChIKey: RLCRRCWHRNUEDU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-S.Cl-H

Molecular Weight

  • 374.9773
 
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Names and Synonyms

Synonyms

  • alpha-(2-Phenylthioethyl)-alpha-(3-dimethylaminopropyl)phenylacetonitrile hydrochloride
  • alpha-(3-(Dimethylamino)propyl)-alpha-(2-(phenylthio)ethyl)benzeneacetonitrile hydrochloride

Systematic Name

  • Benzeneacetonitrile, alpha-(3-(dimethylamino)propyl)-alpha-(2-(phenylthio)ethyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 41932-68-7

System Generated Number

  • 0041932687

Molecular Formulas

Molecular Formula

  • C21-H26-N2-S.Cl-H

Molecular Formula Fragments

  • C21-H26-N2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26N2S.ClH/c1-23(2)16-9-14-21(18-22,19-10-5-3-6-11-19)15-17-24-20-12-7-4-8-13-20;/h3-8,10-13H,9,14-17H2,1-2H3;1H

InChIKey

RLCRRCWHRNUEDU-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 20mg/kg (20mg/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.