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Substance Name: 2(1H)-Isoquinolinepropionitrile, 3,4-dihydro-3-methyl-4-phenyl-, (E)-
RN: 41958-63-8
InChIKey: CFRWPPYCQRSFFW-FUKCDUGKSA-N

Molecular Formula

  • C19-H20-N2

Molecular Weight

  • 276.381
 
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Names and Synonyms

Synonyms

  • BRN 1387494
  • trans-3-Methyl-4-phenyl-3,4-dihydro-2(1H)-isoquinolinepropionitrile

Systematic Name

  • 2(1H)-Isoquinolinepropionitrile, 3,4-dihydro-3-methyl-4-phenyl-, (E)-

Registry Numbers

CAS Registry Number

  • 41958-63-8

System Generated Number

  • 0041958638

Structure Descriptors

InChI

1S/C19H20N2/c1-15-19(16-8-3-2-4-9-16)18-11-6-5-10-17(18)14-21(15)13-7-12-20/h2-6,8-11,15,19H,7,13-14H2,1H3/t15-,19?/m0/s1

InChIKey

CFRWPPYCQRSFFW-FUKCDUGKSA-N

Smiles

c12[C@@H](c3ccccc3)[C@@H]([N@@](CCC#N)Cc1cccc2)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 147mg/kg (147mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 342, 1973.