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Substance Name: Pentanedioic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester
RN: 62052-62-4
InChIKey: BCXQQECKURGCAV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H24-O8-S2

Molecular Weight

  • 420.5006
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 62052-62-4

System Generated Number

  • 0062052624

Structure Descriptors

InChI

1S/C17H24O8S2/c1-9(2)23-15(21)14(16(22)24-10(3)4)17-26-8-13(27-17)25-12(20)7-5-6-11(18)19/h9-10,13H,5-8H2,1-4H3,(H,18,19)

InChIKey

BCXQQECKURGCAV-UHFFFAOYSA-N

Smiles

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