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Substance Name: Benzoic acid, o-(phenylsulfinyl)-
RN: 32664-47-4
InChIKey: JKCQTQLPTWLIRL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-O3-S

Molecular Weight

  • 246.285
 
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Names and Synonyms

Synonyms

  • 0-10-00-00127 (Beilstein Handbook Reference)
  • 2-(Phenylsulfinyl)benzoic acid
  • BRN 2110898
  • NSC 289492

Systematic Names

  • Benzoic acid, 2-(phenylsulfinyl)- (9CI)
  • Benzoic acid, o-(phenylsulfinyl)-

Registry Numbers

CAS Registry Number

  • 32664-47-4

System Generated Number

  • 0032664474

Structure Descriptors

InChI

1S/C13H10O3S/c14-13(15)11-8-4-5-9-12(11)17(16)10-6-2-1-3-7-10/h1-9H,(H,14,15)

InChIKey

JKCQTQLPTWLIRL-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C(O)=O)[S@@](c1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 798, 1976.