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Substance Name: Benzoic acid, p-bromo-, 7-nitro-8-quinolyl ester
RN: 29007-05-4
InChIKey: MYXVDQGMVAWSPL-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-, p-bromobenzoate
  • BRN 1548658
  • p-Bromobenzoic acid, 7-nitro-8-quinolyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 29007-05-4

System Generated Number

  • 0029007054

Structure Descriptors

InChI

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

InChIKey

MYXVDQGMVAWSPL-UHFFFAOYSA-N

Smiles

c1(c2c(ccc1[N+](=O)[O-])cccn2)OC(c1ccc(Br)cc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1300mg/kg (1300mg/kg)   Bollettino Chimico Farmaceutico. Vol. 112, Pg. 767, 1973.