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Substance Name: Propanedioic acid, (4-((chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)-, diethyl ester
RN: 62052-50-0
InChIKey: VDMWGCWMRZKQOZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-Cl-O6-S2

Molecular Weight

  • 354.8295
 
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Names and Synonyms

Synonym

  • Diethyl (4-((chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate

Systematic Name

  • Propanedioic acid, (4-((chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)-, diethyl ester

Registry Numbers

CAS Registry Number

  • 62052-50-0

System Generated Number

  • 0062052500

Structure Descriptors

InChI

1S/C12H15ClO6S2/c1-3-17-10(15)9(11(16)18-4-2)12-20-6-8(21-12)19-7(14)5-13/h8H,3-6H2,1-2H3

InChIKey

VDMWGCWMRZKQOZ-UHFFFAOYSA-N

Smiles

CCOC(=O)C(=C1SCC(S1)OC(=O)CCl)C(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4112089,