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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-((2-hydroxyethyl)amino)-
RN: 111038-27-8
InChIKey: JUIRIWGSBLYPRL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H19-N5-O5

Molecular Weight

  • 313.3121
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-7-(2,3-dihydroxypropyl)-8-((2-hydroxyethyl)amino)-1,3-dimethyl-1H-purine-2,6-dione
  • 7-(2,3-Dihydroxypropyl)-8-beta-hydroxyethylaminotheophylline
  • BRN 5620588

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 111038-27-8

System Generated Number

  • 0111038278

Structure Descriptors

InChI

1S/C12H19N5O5/c1-15-9-8(10(21)16(2)12(15)22)17(5-7(20)6-19)11(14-9)13-3-4-18/h7,18-20H,3-6H2,1-2H3,(H,13,14)

InChIKey

JUIRIWGSBLYPRL-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(c(n2)NCCO)CC(CO)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2948mg/kg (2948mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 338, 1987.