Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,3-dimethyl-7-(4-methylphenyl)-8-(phenylmethyl)-, hydrate
RN: 96885-59-5
InChIKey: HACQDDATJNJBDK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H21-N5-O2.H2-O

Molecular Weight

  • 417.4667
 
* 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

Synonym

  • 1,3-Dimethyl-7-(4-methylphenyl)-8-(phenylmethyl)-1H-imidazo(2,1-f)purine-2,4(3H,8H)-dione H2O

Systematic Name

  • 1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,3-dimethyl-7-(4-methylphenyl)-8-(phenylmethyl)-, hydrate

Registry Numbers

CAS Registry Number

  • 96885-59-5

System Generated Number

  • 0096885595

Molecular Formulas

Molecular Formula

  • C23-H21-N5-O2.H2-O

Molecular Formula Fragments

  • C23-H21-N5-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H21N5O2.H2O/c1-15-9-11-17(12-10-15)18-14-28-19-20(25(2)23(30)26(3)21(19)29)24-22(28)27(18)13-16-7-5-4-6-8-16;/h4-12,14H,13H2,1-3H3;1H2

InChIKey

HACQDDATJNJBDK-UHFFFAOYSA-N

Smiles

c12n(c3c(n1)n(c(=O)n(c3=O)C)C)cc(n2Cc1ccccc1)c1ccc(cc1)C.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 515mg/kg (515mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

CARDIAC: OTHER CHANGES
Pharmaceutical Chemistry Journal Vol. 18, Pg. 823, 1984.