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Substance Name: Benzeneacetonitrile, 2-((4-chlorophenyl)thio)-alpha-(3-(dimethylamino)propyl)-, monohydrochloride
RN: 62674-73-1
InChIKey: VSBOQSPJOSOOMI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-Cl-N2-S.Cl-H

Molecular Weight

  • 381.3688
 
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Names and Synonyms

Synonym

  • 2-((4-Chlorophenyl)thio)-alpha-(3-(dimethylamino)propyl)benzeneacetonitrile hydrochloride

Systematic Name

  • Benzeneacetonitrile, 2-((4-chlorophenyl)thio)-alpha-(3-(dimethylamino)propyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 62674-73-1

System Generated Number

  • 0062674731

Molecular Formulas

Molecular Formula

  • C19-H21-Cl-N2-S.Cl-H

Molecular Formula Fragments

  • C19-H21-Cl-N2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H21ClN2S.ClH/c1-22(2)13-5-6-15(14-21)18-7-3-4-8-19(18)23-17-11-9-16(20)10-12-17;/h3-4,7-12,15H,5-6,13H2,1-2H3;1H

InChIKey

VSBOQSPJOSOOMI-UHFFFAOYSA-N

Smiles

CN(C)CCCC(C#N)c1ccccc1Sc2ccc(cc2)Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 3420, 1976.