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Substance Name: Xanthine, 3-(2-hydroxyethyl)-1-methyl-
RN: 31542-47-9
InChIKey: XXSKBKUNDLWMML-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H10-N4-O3

Molecular Weight

  • 210.192
 
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Names and Synonyms

Synonyms

  • 3-(2-Hydroxyethyl)-1-methylxanthine
  • 4-26-00-02355 (Beilstein Handbook Reference)
  • BRN 0240672

Systematic Names

  • 1H-Purine-2,6-dione, 3,7-dihydro-3-(2-hydroxyethyl)-1-methyl-
  • Xanthine, 3-(2-hydroxyethyl)-1-methyl-

Registry Numbers

CAS Registry Number

  • 31542-47-9

System Generated Number

  • 0031542479

Structure Descriptors

InChI

1S/C8H10N4O3/c1-11-7(14)5-6(10-4-9-5)12(2-3-13)8(11)15/h4,13H,2-3H2,1H3,(H,9,10)

InChIKey

XXSKBKUNDLWMML-UHFFFAOYSA-N

Smiles

CN1C(=O)N(CCO)c2nc[nH]c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 540mg/kg (540mg/kg)   Farmakologiya i Toksikologiya Vol. 46(5), Pg. 104, 1983.