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Substance Name: p-Anisic acid, 2,3-dimercaptopropyl ester
RN: 100059-16-3
InChIKey: VBUREHHXKCMQJR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-O3-S2

Molecular Weight

  • 258.361
 
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Names and Synonyms

Synonyms

  • 1-Propanol, 2,3-dimercapto-, 1-p-anisate
  • 2,3-Dimercapto-1-propanol 1-p-anisate
  • BRL 651
  • BRN 2695405

Systematic Name

  • p-Anisic acid, 2,3-dimercaptopropyl ester

Registry Numbers

CAS Registry Number

  • 100059-16-3

System Generated Number

  • 0100059163

Structure Descriptors

InChI

1S/C11H14O3S2/c1-13-9-4-2-8(3-5-9)11(12)14-6-10(16)7-15/h2-5,10,15-16H,6-7H2,1H3

InChIKey

VBUREHHXKCMQJR-UHFFFAOYSA-N

Smiles

c1(C(OC[C@@H](CS)S)=O)ccc(OC)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 200mg/kg (200mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 15, Pg. 485, 1960.