Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Thiophenecarboxylic acid, 1-((1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)methyl)-1,2-ethanediyl ester
RN: 37419-58-2
InChIKey: IIEXVOUMGZOGQU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H18-N4-O6-S2

Molecular Weight

  • 474.5162
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 2-Thiophenecarboxylate de 7-(2,3-dihydroxypropyl)theophylline
  • 2-Thiophenecarboxylate de 7-(2,3-dihydroxypropyl)theophylline [French]

Systematic Name

  • 2-Thiophenecarboxylic acid, 1-((1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)methyl)-1,2-ethanediyl ester

Registry Numbers

CAS Registry Number

  • 37419-58-2

System Generated Number

  • 0037419582

Structure Descriptors

InChI

1S/C20H18N4O6S2/c1-22-16-15(17(25)23(2)20(22)28)24(11-21-16)9-12(30-19(27)14-6-4-8-32-14)10-29-18(26)13-5-3-7-31-13/h3-8,11-12H,9-10H2,1-2H3

InChIKey

IIEXVOUMGZOGQU-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(COC(=O)c3cccs3)OC(=O)c4cccs4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   French Demande Patent Document. Vol. #2097015,
mouse LD50 intravenous 1gm/kg (1000mg/kg)   French Demande Patent Document. Vol. #2097015,
mouse LD50 oral > 5gm/kg (5000mg/kg)   French Demande Patent Document. Vol. #2097015,