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Substance Name: 2-Propenoic acid, 2-cyano-3-(2-(dimethylamino)-1,4-dihydro-4-oxo-3-quinolinyl)-, ethyl ester
RN: 172753-43-4
InChIKey: LELZHSKGSCXPML-PKNBQFBNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-N3-O3

Molecular Weight

  • 311.3393
 
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Names and Synonyms

Synonyms

  • Ethyl 2-cyano-3-(2-(dimethylamino)-1,4-dihydro-4-oxo-3-quinolinyl)-2-propenoate
  • Ethyl ester of alpha-cyano-beta-(2-dimethylamino-4-oxo-1,4-dihydroquinolin-3-yl)acrylic acid

Systematic Name

  • 2-Propenoic acid, 2-cyano-3-(2-(dimethylamino)-1,4-dihydro-4-oxo-3-quinolinyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 172753-43-4

System Generated Number

  • 0172753434

Structure Descriptors

InChI

1S/C17H17N3O3/c1-4-23-17(22)11(10-18)9-13-15(21)12-7-5-6-8-14(12)19-16(13)20(2)3/h5-9H,4H2,1-3H3,(H,19,21)/b11-9+

InChIKey

LELZHSKGSCXPML-PKNBQFBNSA-N

Smiles

CCOC(=O)/C(=C/c1c(=O)c2ccccc2[nH]c1N(C)C)/C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported > 750mg/kg (750mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 111, 1995.