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Substance Name: Butanedioic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester
RN: 62052-60-2
InChIKey: YIJSXVBMNHSRLN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-O8-S2

Molecular Weight

  • 406.4738
 
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Names and Synonyms

Synonym

  • Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidene malonate succinic acid semi-ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 62052-60-2

System Generated Number

  • 0062052602

Structure Descriptors

InChI

1S/C16H22O8S2/c1-8(2)22-14(20)13(15(21)23-9(3)4)16-25-7-12(26-16)24-11(19)6-5-10(17)18/h8-9,12H,5-7H2,1-4H3,(H,17,18)

InChIKey

YIJSXVBMNHSRLN-UHFFFAOYSA-N

Smiles

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