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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithiolan-2-ylmethyl)-, S-oxide, cis-
RN: 116763-38-3
InChIKey: DKBHJWJNQUYKFR-DSMWMPORSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-N4-O3-S2

Molecular Weight

  • 314.3886
 
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Names and Synonyms

Synonyms

  • cis-3,7-Dihydro-1,3-dimethyl-7-(1,3-dithiolan-2-ylmethyl)-1H-purine-2,6-dione S-oxide
  • cis-7-(1,3-Dithiolan-2-ylmethyl)theophylline-1S-oxide

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithiolan-2-ylmethyl)-, S-oxide, cis-

Registry Numbers

CAS Registry Number

  • 116763-38-3

System Generated Number

  • 0116763383

Structure Descriptors

InChI

1S/C11H14N4O3S2/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-19-3-4-20(7)18/h6-7H,3-5H2,1-2H3/t7-,20?/m0/s1

InChIKey

DKBHJWJNQUYKFR-DSMWMPORSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)C[C@H]3SCCS3=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 900mg/kg (900mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 24, Pg. 635, 1989.