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Substance Name: Acetamide, 2-amino-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)-, (Z)-2-butenedioate (1:1)
RN: 54183-98-1
InChIKey: QDPYGYUAQMFDLT-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-N3-O2.C4-H4-O4

Molecular Weight

  • 439.4655
 
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Names and Synonyms

Synonym

  • 1-(4'-(Aminoacetyl)amino)phenyl-4,4-dimethyl-3-oxo-tetrahydroisoquinoline maleate

Systematic Name

  • Acetamide, 2-amino-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

  • 54183-98-1

System Generated Number

  • 0054183981

Molecular Formulas

Molecular Formula

  • C19-H21-N3-O2.C4-H4-O4

Molecular Formula Fragments

  • C19-H21-N3-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H21N3O2.C4H4O4/c1-19(2)15-6-4-3-5-14(15)17(22-18(19)24)12-7-9-13(10-8-12)21-16(23)11-20;5-3(6)1-2-4(7)8/h3-10,17H,11,20H2,1-2H3,(H,21,23)(H,22,24);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

QDPYGYUAQMFDLT-WLHGVMLRSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 1384, 1977.