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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(methylamino)-
RN: 111038-26-7
InChIKey: PCYJXCVNFNAIHS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H17-N5-O4

Molecular Weight

  • 283.2863
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(methylamino)-1H-purine-2,6-dione
  • 7-(2,3-Dihydroxypropyl)-8-methylaminotheophylline
  • BRN 5604283

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 111038-26-7

System Generated Number

  • 0111038267

Structure Descriptors

InChI

1S/C11H17N5O4/c1-12-10-13-8-7(16(10)4-6(18)5-17)9(19)15(3)11(20)14(8)2/h6,17-18H,4-5H2,1-3H3,(H,12,13)

InChIKey

PCYJXCVNFNAIHS-UHFFFAOYSA-N

Smiles

CNc1nc2N(C)C(=O)N(C)C(=O)c2n1CC(O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 642mg/kg (642mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 338, 1987.