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Substance Name: Benzoic acid, o-chloro-, 2,3-dimercaptopropyl ester
RN: 103040-47-7
InChIKey: XIPKRINXYWZRFY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H11-Cl-O2-S2

Molecular Weight

  • 262.78
 
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Names and Synonyms

Synonyms

  • 1-Propanol, 2,3-dimercapto-, 1-o-chlorobenzoate
  • 2,3-Dimercaptopropyl o-chlorobenzoate
  • BRL 636
  • BRN 2115785

Systematic Name

  • Benzoic acid, o-chloro-, 2,3-dimercaptopropyl ester

Registry Numbers

CAS Registry Number

  • 103040-47-7

System Generated Number

  • 0103040477

Structure Descriptors

InChI

1S/C10H11ClO2S2/c11-9-4-2-1-3-8(9)10(12)13-5-7(15)6-14/h1-4,7,14-15H,5-6H2

InChIKey

XIPKRINXYWZRFY-UHFFFAOYSA-N

Smiles

c1(C(OC[C@@H](CS)S)=O)c(cccc1)Cl

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.