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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-2-methylpropyl)-
RN: 41011-04-5
InChIKey: WIZRYWWFTQBUAD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-N4-O3

Molecular Weight

  • 252.2724
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-1,3-dimethyl-7-(2-hydroxy-2-methylpropyl)-1H-purine-2,6-dione
  • 5-26-14-00068 (Beilstein Handbook Reference)
  • 7-(beta-Methyl-beta-hydroxypropyl)theophylline
  • BRN 0539166
  • Theophylline, 7-(2-hydroxy-2-methylpropyl)-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 41011-04-5

System Generated Number

  • 0041011045

Structure Descriptors

InChI

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

InChIKey

WIZRYWWFTQBUAD-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2ncn(CC(C)(C)O)c2C1=O

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.