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Substance Name: Popanedioic acid, (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, dibutyl ester
RN: 62052-69-1
InChIKey: KXNZQJCJWDFEKT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H31-N-O7-S2

Molecular Weight

  • 461.5969
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 62052-69-1

System Generated Number

  • 0062052691

Structure Descriptors

InChI

1S/C20H31NO7S2/c1-3-5-9-26-18(23)17(19(24)27-10-6-4-2)20-29-14-16(30-20)28-15(22)13-21-7-11-25-12-8-21/h16H,3-14H2,1-2H3

InChIKey

KXNZQJCJWDFEKT-UHFFFAOYSA-N

Smiles

CCCCOC(=O)C(=C1SCC(S1)OC(=O)CN2CCOCC2)C(=O)OCCCC

Toxicity

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