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Substance Name: Acetamide, 2-(methylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)-, (Z)-2-butenedioate (1:1)
RN: 54183-96-9
InChIKey: ZGCWMVFDNWEYDX-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N3-O2.C4-H4-O4

Molecular Weight

  • 453.4923
 
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Names and Synonyms

  • Acetamide, 2-(methylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 54183-96-9

System Generated Number

  • 0054183969

Molecular Formulas

Molecular Formula

  • C20-H23-N3-O2.C4-H4-O4

Molecular Formula Fragments

  • C20-H23-N3-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23N3O2.C4H4O4/c1-20(2)16-7-5-4-6-15(16)18(23-19(20)25)13-8-10-14(11-9-13)22-17(24)12-21-3;5-3(6)1-2-4(7)8/h4-11,18,21H,12H2,1-3H3,(H,22,24)(H,23,25);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

ZGCWMVFDNWEYDX-WLHGVMLRSA-N

Smiles

CC1(c2ccccc2C(NC1=O)c3ccc(cc3)NC(=O)CNC)C.C(=C/C(=O)O)\C(=O)O

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.