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Substance Name: Benzoic acid, o-bromo-, 7-nitro-8-quinolyl ester
RN: 29007-07-6
InChIKey: CXJLHPOTKZQEJD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H9-Br-N2-O4

Molecular Weight

  • 373.161
 
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Names and Synonyms

Synonyms

  • 5-21-03-00298 (Beilstein Handbook Reference)
  • 8-Quinolinol, 7-nitro-, o-bromobenzoate
  • BRN 1549402
  • o-Bromobenzoic acid 7-nitro-8-quinolyl ester

Systematic Name

  • Benzoic acid, o-bromo-, 7-nitro-8-quinolyl ester

Registry Numbers

CAS Registry Number

  • 29007-07-6

System Generated Number

  • 0029007076

Structure Descriptors

InChI

1S/C16H9BrN2O4/c17-12-6-2-1-5-11(12)16(20)23-15-13(19(21)22)8-7-10-4-3-9-18-14(10)15/h1-9H

InChIKey

CXJLHPOTKZQEJD-UHFFFAOYSA-N

Smiles

c12c(c(ccc1cccn2)[N+](=O)[O-])OC(c1c(cccc1)Br)=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. 767, 1973.