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Substance Name: Benzonitrile, 2-((3,4-dihydro-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-yl)methyl)-
RN: 70547-17-0
InChIKey: ZXRJBPRUPXQQLI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H20-N2-S

Molecular Weight

  • 380.513
 
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Names and Synonyms

Synonyms

  • 2-((3,4-Dihydro-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-yl)methyl)benzonitrile
  • 2-o-Cyanobenzyl-4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine

Systematic Name

  • Benzonitrile, 2-((3,4-dihydro-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-yl)methyl)-

Registry Numbers

CAS Registry Number

  • 70547-17-0

System Generated Number

  • 0070547170

Structure Descriptors

InChI

1S/C25H20N2S/c26-14-19-10-4-5-11-20(19)15-27-16-22(18-8-2-1-3-9-18)25-23(17-27)21-12-6-7-13-24(21)28-25/h1-13,22H,15-17H2

InChIKey

ZXRJBPRUPXQQLI-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2CN(Cc3c2sc4c3cccc4)Cc5ccccc5C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 400mg/kg (400mg/kg)   United States Patent Document. Vol. #4172134,