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Substance Name: 1-Piperidinebutyronitrile, 4-methyl-alpha-(phenylmethyl)-alpha-2-thienyl-
RN: 64647-41-2
InChIKey: NFKOCTFNWDTGHS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H26-N2-S

Molecular Weight

  • 338.5164
 
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Names and Synonyms

Synonym

  • 4-Methyl-alpha-(phenylmethyl)-alpha-2-thienyl-1-piperidinebutanenitrile

Systematic Name

  • 1-Piperidinebutyronitrile, 4-methyl-alpha-(phenylmethyl)-alpha-2-thienyl-

Registry Numbers

CAS Registry Number

  • 64647-41-2

System Generated Number

  • 0064647412

Structure Descriptors

InChI

1S/C21H26N2S/c1-18-9-12-23(13-10-18)14-11-21(17-22,20-8-5-15-24-20)16-19-6-3-2-4-7-19/h2-8,15,18H,9-14,16H2,1H3

InChIKey

NFKOCTFNWDTGHS-UHFFFAOYSA-N

Smiles

CC1CCN(CC1)CCC(Cc2ccccc2)(C#N)c3cccs3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 55mg/kg (55mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 379, 1977.
mouse LD50 oral 225mg/kg (225mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 379, 1977.