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Substance Name: Acetamide, 2-(butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)-
RN: 54087-50-2
InChIKey: MGIRIOOCTAFDIA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N3-O2

Molecular Weight

  • 379.5011
 
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Names and Synonyms

Synonyms

  • 2-(Butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide
  • BRN 0499473

Systematic Name

  • Acetamide, 2-(butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 54087-50-2

System Generated Number

  • 0054087502

Structure Descriptors

InChI

1S/C23H29N3O2/c1-4-5-14-24-15-20(27)25-17-12-10-16(11-13-17)21-18-8-6-7-9-19(18)23(2,3)22(28)26-21/h6-13,21,24H,4-5,14-15H2,1-3H3,(H,25,27)(H,26,28)

InChIKey

MGIRIOOCTAFDIA-UHFFFAOYSA-N

Smiles

CCCCNCC(=O)Nc1ccc(cc1)C2c3ccccc3C(C(=O)N2)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 1384, 1977.