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Substance Name: Butyric acid, 2,3-dimercaptopropyl ester
RN: 99848-14-3
InChIKey: DJEMELITJSDQEV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H14-O2-S2

Molecular Weight

  • 194.318
 
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Names and Synonyms

Synonyms

  • 1-Propanol, 2,3-dimercapto-, 1-butyrate
  • 2,3-Dimercapto-1-propanol 1-butyrate
  • 3-02-00-00610 (Beilstein Handbook Reference)
  • BRL 510
  • BRN 1761891

Systematic Name

  • Butyric acid, 2,3-dimercaptopropyl ester

Registry Numbers

CAS Registry Number

  • 99848-14-3

System Generated Number

  • 0099848143

Structure Descriptors

InChI

1S/C7H14O2S2/c1-2-3-7(8)9-4-6(11)5-10/h6,10-11H,2-5H2,1H3

InChIKey

DJEMELITJSDQEV-UHFFFAOYSA-N

Smiles

O(C[C@@H](CS)S)C(CCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 400mg/kg (400mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 15, Pg. 485, 1960.