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Substance Name: 2-Cyclohexen-1-one, 5,5-dimethyl-3-(phenylamino)-
RN: 18940-21-1
InChIKey: LIHRRTOWVCDHLR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H17-N-O

Molecular Weight

  • 215.294
 
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Names and Synonyms

Synonyms

  • 3-12-00-00341 (Beilstein Handbook Reference)
  • 5,5-Dimethyl-3-(phenylamino)-2-cyclohexen-1-one
  • BRN 2097764

Systematic Name

  • 2-Cyclohexen-1-one, 5,5-dimethyl-3-(phenylamino)-

Registry Numbers

CAS Registry Number

  • 18940-21-1

System Generated Number

  • 0018940211

Structure Descriptors

InChI

1S/C14H17NO/c1-14(2)9-12(8-13(16)10-14)15-11-6-4-3-5-7-11/h3-8,15H,9-10H2,1-2H3

InChIKey

LIHRRTOWVCDHLR-UHFFFAOYSA-N

Smiles

C1(C=C(CC(C1)(C)C)Nc1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD intraperitoneal > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 36, Pg. 1947, 1993.
rat LD oral > 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 36, Pg. 1947, 1993.