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Substance Name: 2-Propenoic acid, 2-methyl-3-(4-methylphenyl)-, 7-nitro-8-quinolinyl ester
RN: 29002-28-6
InChIKey: KECYJQRELPUNDK-WYMLVPIESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H16-N2-O4

Molecular Weight

  • 348.356
 
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Names and Synonyms

Synonyms

  • 7-Nitro-8-quinolinyl 2-methyl-3-(4-methylphenyl)-2-propenoate
  • BRN 1551484

Systematic Name

  • 2-Propenoic acid, 2-methyl-3-(4-methylphenyl)-, 7-nitro-8-quinolinyl ester

Registry Numbers

CAS Registry Number

  • 29002-28-6

System Generated Number

  • 0029002286

Structure Descriptors

InChI

1S/C20H16N2O4/c1-13-5-7-15(8-6-13)12-14(2)20(23)26-19-17(22(24)25)10-9-16-4-3-11-21-18(16)19/h3-12H,1-2H3/b14-12+

InChIKey

KECYJQRELPUNDK-WYMLVPIESA-N

Smiles

C(\C(=C\c1ccc(cc1)C)C)(=O)Oc1c(ccc2cccnc12)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 3gm/kg (3000mg/kg)   Bollettino Chimico Farmaceutico. Vol. 112, Pg. 776, 1973.