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Substance Name: 1-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester
RN: 62073-34-1
InChIKey: VTLJPLHWISDURS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-O8-S2

Molecular Weight

  • 458.5494
 
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Names and Synonyms

  • 1-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester

Registry Numbers

CAS Registry Number

  • 62073-34-1

System Generated Number

  • 0062073341

Structure Descriptors

InChI

1S/C20H26O8S2/c1-10(2)26-18(24)15(19(25)27-11(3)4)20-29-9-14(30-20)28-17(23)13-8-6-5-7-12(13)16(21)22/h10-11,14H,5-9H2,1-4H3,(H,21,22)

InChIKey

VTLJPLHWISDURS-UHFFFAOYSA-N

Smiles

CC(C)OC(=O)C(=C1SCC(S1)OC(=O)C2=C(CCCC2)C(=O)O)C(=O)OC(C)C

Toxicity

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