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Substance Name: 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-2-methyl-, 7-nitro-8-quinolinyl ester
RN: 29002-41-3
InChIKey: HHYZTROUCCBVLO-ACCUITESSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H18-N2-O6

Molecular Weight

  • 394.381
 
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Names and Synonyms

Synonyms

  • 7-Nitro-8-quinolinyl 3-(3,4-dimethoxyphenyl)-2-methyl-2-propenoate
  • BRN 1555811

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 29002-41-3

System Generated Number

  • 0029002413

Structure Descriptors

InChI

1S/C21H18N2O6/c1-13(11-14-6-9-17(27-2)18(12-14)28-3)21(24)29-20-16(23(25)26)8-7-15-5-4-10-22-19(15)20/h4-12H,1-3H3/b13-11+

InChIKey

HHYZTROUCCBVLO-ACCUITESSA-N

Smiles

C(\C(=C\c1cc(c(cc1)OC)OC)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.