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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(bis(phenylmethyl)amino)-1,3-dimethyl-
RN: 40799-93-7
InChIKey: SIMYYASCPGDFEN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-N5-O2

Molecular Weight

  • 375.4299
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-8-(bis(phenylmethyl)amino)-1,3-dimethyl-1H-purine-2,6-dione
  • 8-(Dibenzylamino)theophylline
  • BRN 1175575

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(bis(phenylmethyl)amino)-1,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 40799-93-7

System Generated Number

  • 0040799937

Structure Descriptors

InChI

1S/C21H21N5O2/c1-24-18-17(19(27)25(2)21(24)28)22-20(23-18)26(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,22,23)

InChIKey

SIMYYASCPGDFEN-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)N(Cc3ccccc3)Cc4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 300mg/kg (300mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 33, Pg. 203, 1981.