Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(butylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethyl-
RN: 111038-28-9
InChIKey: ZENUOIDBLQHVII-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H23-N5-O4

Molecular Weight

  • 325.3667
 
* 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-8-(butylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethyl-1H-purine-2,6-dione
  • 7-(2,3-Dihydroxypropyl)-8-butylaminotheophylline
  • BRN 5619529

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(butylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 111038-28-9

System Generated Number

  • 0111038289

Structure Descriptors

InChI

1S/C14H23N5O4/c1-4-5-6-15-13-16-11-10(19(13)7-9(21)8-20)12(22)18(3)14(23)17(11)2/h9,20-21H,4-8H2,1-3H3,(H,15,16)

InChIKey

ZENUOIDBLQHVII-UHFFFAOYSA-N

Smiles

CCCCNc1nc2c(n1CC(CO)O)c(=O)n(c(=O)n2C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 345mg/kg (345mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 338, 1987.