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Substance Name: Butanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl)ester, potassium salt
RN: 62052-53-3
InChIKey: UQMQPUIABQCXCE-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H17-O8-S2.K

Molecular Weight

  • 416.5103
 
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Names and Synonyms

  • Butanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl)ester, potassium salt

Registry Numbers

CAS Registry Number

  • 62052-53-3

System Generated Number

  • 0062052533

Molecular Formulas

Molecular Formula

  • C14-H17-O8-S2.K

Molecular Formula Fragments

  • C14-H17-O8-S2
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C14H18O8S2.K/c1-3-20-12(18)11(13(19)21-4-2)14-23-7-10(24-14)22-9(17)6-5-8(15)16;/h10H,3-7H2,1-2H3,(H,15,16);/q;+1/p-1

InChIKey

UQMQPUIABQCXCE-UHFFFAOYSA-M

Smiles

CCOC(=O)C(=C1SCC(S1)OC(=O)CCC(=O)[O-])C(=O)OCC.[K+]

Toxicity

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