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Substance Name: Acetic acid, phenyl-, 2,3-dimercaptopropyl ester
RN: 104097-39-4
InChIKey: QTLYUIWSFRLABZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-O2-S2

Molecular Weight

  • 242.362
 
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Names and Synonyms

Synonyms

  • BRL 638
  • BRN 2105260
  • Phenylacetic acid 2,3-dimercaptopropyl ester

Systematic Name

  • Acetic acid, phenyl-, 2,3-dimercaptopropyl ester

Registry Numbers

CAS Registry Number

  • 104097-39-4

System Generated Number

  • 0104097394

Structure Descriptors

InChI

1S/C11H14O2S2/c12-11(13-7-10(15)8-14)6-9-4-2-1-3-5-9/h1-5,10,14-15H,6-8H2

InChIKey

QTLYUIWSFRLABZ-UHFFFAOYSA-N

Smiles

c1(CC(OC[C@@H](CS)S)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 500mg/kg (500mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 15, Pg. 485, 1960.
mouse LD50 subcutaneous 500mg/kg (500mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 15, Pg. 485, 1960.