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Substance Name: Benzoic acid, 2-(phenylthio)-, 7-nitro-8-quinolinyl ester
RN: 29002-12-8
InChIKey: ZHYZMLUFPWUDRK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H14-N2-O4-S

Molecular Weight

  • 402.429
 
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Names and Synonyms

Synonyms

  • 8-Quinolinol, 7-nitro-, 2-(phenylthio)benzoate
  • BRN 1555402

Systematic Name

  • Benzoic acid, 2-(phenylthio)-, 7-nitro-8-quinolinyl ester

Registry Numbers

CAS Registry Number

  • 29002-12-8

System Generated Number

  • 0029002128

Structure Descriptors

InChI

1S/C22H14N2O4S/c25-22(17-10-4-5-11-19(17)29-16-8-2-1-3-9-16)28-21-18(24(26)27)13-12-15-7-6-14-23-20(15)21/h1-14H

InChIKey

ZHYZMLUFPWUDRK-UHFFFAOYSA-N

Smiles

C(c1c(cccc1)Sc1ccccc1)(=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. 767, 1973.