Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)-
RN: 41011-02-3
InChIKey: FVYWRRDRUXVGII-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-N4-O3

Molecular Weight

  • 252.2724
 
* 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

  • 3,7-Dihydro-1,3-dimethyl-7-(2-hydroxybutyl)-1H-purine-2,6-dione
  • 5-26-14-00067 (Beilstein Handbook Reference)
  • 7-(beta-Hydroxybutyl)theophylline
  • BRN 0620806
  • Theophylline, 7-(2-hydroxybutyl)-

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 41011-02-3

System Generated Number

  • 0041011023

Structure Descriptors

InChI

1S/C11H16N4O3/c1-4-7(16)5-15-6-12-9-8(15)10(17)14(3)11(18)13(9)2/h6-7,16H,4-5H2,1-3H3

InChIKey

FVYWRRDRUXVGII-UHFFFAOYSA-N

Smiles

CCC(O)Cn1cnc2N(C)C(=O)N(C)C(=O)c12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 430mg/kg (430mg/kg)   Farmaco, Edizione Scientifica. Vol. 28, Pg. 250, 1973.