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Substance Name: 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-, 7-nitro-8-quinolinyl ester
RN: 29002-23-1
InChIKey: BYTFFCAAWQTQFM-XBXARRHUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H12-N2-O6

Molecular Weight

  • 364.312
 
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Names and Synonyms

Synonyms

  • 7-Nitro-8-quinolinyl 3-(1,3-benzodioxol-5-yl)-2-propenoate
  • BRN 1554578

Systematic Name

  • 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-, 7-nitro-8-quinolinyl ester

Registry Numbers

CAS Registry Number

  • 29002-23-1

System Generated Number

  • 0029002231

Structure Descriptors

InChI

1S/C19H12N2O6/c22-17(8-4-12-3-7-15-16(10-12)26-11-25-15)27-19-14(21(23)24)6-5-13-2-1-9-20-18(13)19/h1-10H,11H2/b8-4+

InChIKey

BYTFFCAAWQTQFM-XBXARRHUSA-N

Smiles

C(\C=C\c1cc2OCOc2cc1)(=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.