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Substance Name: Acetamide, 2-((1-methylethyl)amino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)-
RN: 54087-48-8
InChIKey: UAEKMXKJCGTAPN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N3-O2

Molecular Weight

  • 365.4743
 
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Names and Synonyms

Synonym

  • BRN 0499000

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 54087-48-8

System Generated Number

  • 0054087488

Structure Descriptors

InChI

1S/C22H27N3O2/c1-14(2)23-13-19(26)24-16-11-9-15(10-12-16)20-17-7-5-6-8-18(17)22(3,4)21(27)25-20/h5-12,14,20,23H,13H2,1-4H3,(H,24,26)(H,25,27)

InChIKey

UAEKMXKJCGTAPN-UHFFFAOYSA-N

Smiles

CC(C)NCC(=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.