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Substance Name: Xanthine, 1-(2,3-dihydroxypropyl)-3-methyl-
RN: 120267-26-7
InChIKey: APZOIEVJVCXMNS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H12-N4-O4

Molecular Weight

  • 240.2178
 
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Names and Synonyms

Synonyms

  • 1-(2,3-Dihydroxypropyl)-3-methylxanthine
  • 1-(beta,gamma-Dihydroxypropyl)-3-methylxanthine
  • 4-26-00-02369 (Beilstein Handbook Reference)
  • BRN 0264699

Systematic Name

  • Xanthine, 1-(2,3-dihydroxypropyl)-3-methyl-

Registry Numbers

CAS Registry Number

  • 120267-26-7

System Generated Number

  • 0120267267

Structure Descriptors

InChI

1S/C9H12N4O4/c1-12-7-6(10-4-11-7)8(16)13(9(12)17)2-5(15)3-14/h4-5,14-15H,2-3H2,1H3,(H,10,11)

InChIKey

APZOIEVJVCXMNS-UHFFFAOYSA-N

Smiles

CN1C(=O)N(CC(O)CO)C(=O)c2[nH]cnc12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 18200ug/kg (18.2mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 55, Pg. 507, 1959.