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Substance Name: 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(2-piperidinoethyl)-
RN: 2572-77-2
InChIKey: JWUCNSPLOIVAGH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2

Molecular Weight

  • 320.477
 
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Names and Synonyms

Synonyms

  • 5-20-03-00085 (Beilstein Handbook Reference)
  • alpha-Isopropyl-alpha-(2-piperidinoethyl)-1-naphthaleneacetonitrile
  • BRN 1352307
  • NSC 171376

Systematic Names

  • 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(2-piperidinoethyl)-
  • 1-Piperidinebutyronitrile, alpha-isopropyl-alpha-1-naphthyl- (8CI)

Registry Numbers

CAS Registry Number

  • 2572-77-2

System Generated Number

  • 0002572772

Structure Descriptors

InChI

1S/C22H28N2/c1-18(2)22(17-23,13-16-24-14-6-3-7-15-24)21-12-8-10-19-9-4-5-11-20(19)21/h4-5,8-12,18H,3,6-7,13-16H2,1-2H3

InChIKey

JWUCNSPLOIVAGH-UHFFFAOYSA-N

Smiles

c1([C@@](CCN2CCCCC2)(C(C)C)C#N)c2c(ccc1)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 90mg/kg (90mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 589, 1965.