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Substance Name: p-Toluic acid, 7-nitro-8-quinolyl ester
RN: 29082-32-4
InChIKey: ABNIBTDLFQIFCB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H12-N2-O4

Molecular Weight

  • 308.292
 
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Names and Synonyms

Synonyms

  • 7-Nitro-8-quinolyl p-toluate
  • 8-Quinolinol, 7-nitro-, p-toluate
  • Benzoic acid, 4-methyl-, 7-nitro-8-quinolyl ester
  • BRN 1547108

Systematic Name

  • p-Toluic acid, 7-nitro-8-quinolyl ester

Registry Numbers

CAS Registry Number

  • 29082-32-4

System Generated Number

  • 0029082324

Structure Descriptors

InChI

1S/C17H12N2O4/c1-11-4-6-13(7-5-11)17(20)23-16-14(19(21)22)9-8-12-3-2-10-18-15(12)16/h2-10H,1H3

InChIKey

ABNIBTDLFQIFCB-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 420mg/kg (420mg/kg)   Bollettino Chimico Farmaceutico. Vol. 112, Pg. 767, 1973.