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Substance Name: 1-Naphthaleneacetonitrile, alpha-sec-butyl-alpha-(2-piperidinoethyl)-
RN: 1241-64-1
InChIKey: MQWPYMFATWMENV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-N2

Molecular Weight

  • 334.504
 
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Names and Synonyms

Synonyms

  • 5-20-03-00086 (Beilstein Handbook Reference)
  • alpha-sec-Butyl-alpha-(2-piperidinoethyl)-1-naphthaleneacetonitrile
  • BRN 1352951

Systematic Name

  • 1-Naphthaleneacetonitrile, alpha-sec-butyl-alpha-(2-piperidinoethyl)-

Registry Numbers

CAS Registry Number

  • 1241-64-1

System Generated Number

  • 0001241641

Structure Descriptors

InChI

1S/C23H30N2/c1-3-19(2)23(18-24,14-17-25-15-7-4-8-16-25)22-13-9-11-20-10-5-6-12-21(20)22/h5-6,9-13,19H,3-4,7-8,14-17H2,1-2H3

InChIKey

MQWPYMFATWMENV-UHFFFAOYSA-N

Smiles

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

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.