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Substance Name: Xanthine, 1,3,8,8-tetramethyl-
RN: 715-59-3
InChIKey: JMTLMQWWWBRZLJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H12-N4-O2

Molecular Weight

  • 208.2198
 
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Names and Synonyms

Synonyms

  • 1,3,8,8-Tetramethylxanthine
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3,8,8-tetramethyl-
  • 5-26-14-00181 (Beilstein Handbook Reference)
  • 8,8-Dimethyl-8H-theophyllin
  • 8,8-Dimethyl-8H-theophyllin [German]
  • BRN 0615610
  • GD 054

Systematic Name

  • Xanthine, 1,3,8,8-tetramethyl-

Registry Numbers

CAS Registry Number

  • 715-59-3

System Generated Number

  • 0000715593

Structure Descriptors

InChI

1S/C9H12N4O2/c1-9(2)10-5-6(11-9)12(3)8(15)13(4)7(5)14/h1-4H3

InChIKey

JMTLMQWWWBRZLJ-UHFFFAOYSA-N

Smiles

CC1(N=c2c(=N1)n(c(=O)n(c2=O)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 265mg/kg (265mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Acta Biologica et Medica Germanica. Vol. 21, Pg. 501, 1968.