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Substance Name: Pentanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester
RN: 62052-52-2
InChIKey: QOTXWEFFEDKINU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H20-O8-S2

Molecular Weight

  • 392.447
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 62052-52-2

System Generated Number

  • 0062052522

Structure Descriptors

InChI

1S/C15H20O8S2/c1-3-21-13(19)12(14(20)22-4-2)15-24-8-11(25-15)23-10(18)7-5-6-9(16)17/h11H,3-8H2,1-2H3,(H,16,17)

InChIKey

QOTXWEFFEDKINU-UHFFFAOYSA-N

Smiles

CCOC(=O)C(=C1SCC(S1)OC(=O)CCCC(=O)O)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,