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Substance Name: Butyronitrile, 2-phenyl-2-(2-piperidinoethyl)-3-methyl-
RN: 2809-50-9
InChIKey: HEKDUNZUGUQWGW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H26-N2

Molecular Weight

  • 270.417
 
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Names and Synonyms

Synonyms

  • 2-Phenyl-2-(2-piperidinoethyl)-3-methylbutyronitrile
  • 5-20-03-00077 (Beilstein Handbook Reference)
  • BRN 1348599

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 2809-50-9

System Generated Number

  • 0002809509

Structure Descriptors

InChI

1S/C18H26N2/c1-16(2)18(15-19,17-9-5-3-6-10-17)11-14-20-12-7-4-8-13-20/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3

InChIKey

HEKDUNZUGUQWGW-UHFFFAOYSA-N

Smiles

c1([C@@](CCN2CCCCC2)(C(C)C)C#N)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 70mg/kg (70mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 589, 1965.