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Substance Name: Butyronitrile, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl-
RN: 14780-13-3
InChIKey: KTUSQCQBTLVXLJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H28-N2

Molecular Weight

  • 272.433
 
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Names and Synonyms

Synonyms

  • 2-(p-Cumenyl)-4-(dimethylamino)-2-isopropylbutyronitrile
  • BRN 2127925

Systematic Name

  • Butyronitrile, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl-

Registry Numbers

CAS Registry Number

  • 14780-13-3

System Generated Number

  • 0014780133

Structure Descriptors

InChI

1S/C18H28N2/c1-14(2)16-7-9-17(10-8-16)18(13-19,15(3)4)11-12-20(5)6/h7-10,14-15H,11-12H2,1-6H3

InChIKey

KTUSQCQBTLVXLJ-UHFFFAOYSA-N

Smiles

c1([C@@](CCN(C)C)(C(C)C)C#N)ccc(C(C)C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Chimica Therapeutica. Vol. 2, Pg. 221, 1967.