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Substance Name: Benzonitrile, 2-((5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino)-
RN: 145657-28-9
InChIKey: IXPVVOPDXTXQOP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H16-N2-O

Molecular Weight

  • 240.3044
 
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Names and Synonyms

Synonyms

  • 2-((5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)amino)benzonitrile
  • 3-(2-Cyanoanilino)-5,5-dimethyl-2-cyclohexen-1-one

Systematic Name

  • Benzonitrile, 2-((5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino)-

Registry Numbers

CAS Registry Number

  • 145657-28-9

System Generated Number

  • 0145657289

Structure Descriptors

InChI

1S/C15H16N2O/c1-15(2)8-12(7-13(18)9-15)17-14-6-4-3-5-11(14)10-16/h3-7,17H,8-9H2,1-2H3

InChIKey

IXPVVOPDXTXQOP-UHFFFAOYSA-N

Smiles

CC1(CC(=CC(=O)C1)Nc2ccccc2C#N)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 1200mg/kg (1200mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #92-282314,