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Substance Name: Valeronitrile, 3-methyl-2-phenyl-2-(2-piperidinoethyl)-
RN: 1228-02-0
InChIKey: JHWFWJSHRYEDOF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H28-N2

Molecular Weight

  • 284.444
 
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Names and Synonyms

Synonyms

  • 1-Piperidinebutanenitrile, alpha-(1-methylpropyl)-alpha-phenyl-
  • 2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile
  • 5-20-03-00077 (Beilstein Handbook Reference)
  • BRN 1253289
  • Valeronitrile, 2-phenyl-2-(2-piperidinoethyl)-3-methyl-

Systematic Name

  • Valeronitrile, 3-methyl-2-phenyl-2-(2-piperidinoethyl)-

Registry Numbers

CAS Registry Number

  • 1228-02-0

System Generated Number

  • 0001228020

Structure Descriptors

InChI

1S/C19H28N2/c1-3-17(2)19(16-20,18-10-6-4-7-11-18)12-15-21-13-8-5-9-14-21/h4,6-7,10-11,17H,3,5,8-9,12-15H2,1-2H3

InChIKey

JHWFWJSHRYEDOF-UHFFFAOYSA-N

Smiles

C1CCCN(C1)CC[C@@](c1ccccc1)(C#N)[C@@H](CC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 589, 1965.