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Substance Name: Popanedioic acid, (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, diethyl ester
RN: 62052-70-4
InChIKey: VNVFLGOPACPPBE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N-O7-S2

Molecular Weight

  • 405.4897
 
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Names and Synonyms

Synonym

  • Diethyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate

Systematic Name

  • Popanedioic acid, (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, diethyl ester

Registry Numbers

CAS Registry Number

  • 62052-70-4

System Generated Number

  • 0062052704

Structure Descriptors

InChI

1S/C16H23NO7S2/c1-3-22-14(19)13(15(20)23-4-2)16-25-10-12(26-16)24-11(18)9-17-5-7-21-8-6-17/h12H,3-10H2,1-2H3

InChIKey

VNVFLGOPACPPBE-UHFFFAOYSA-N

Smiles

CCOC(=O)C(=C1SCC(S1)OC(=O)CN2CCOCC2)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,