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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl)-
RN: 128059-51-8
InChIKey: AFWMMKZFYAGZHJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-N4-O3-S

Molecular Weight

  • 282.3226
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl)-1H-purine-2,6-dione
  • 7-(1,3-Oxathiolan-2-ylmethyl)theophylline
  • BRN 5983892

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl)-

Registry Numbers

CAS Registry Number

  • 128059-51-8

System Generated Number

  • 0128059518

Structure Descriptors

InChI

1S/C11H14N4O3S/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3

InChIKey

AFWMMKZFYAGZHJ-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2ncn(CC3OCCS3)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 980mg/kg (980mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 24, Pg. 635, 1989.