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Substance Name: 1,7-Dimethylxanthine
RN: 611-59-6
UNII: Q3565Y41V7
InChIKey: QUNWUDVFRNGTCO-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Reproductive Effect

Molecular Formula

  • C7-H8-N4-O2

Molecular Weight

  • 180.1662
 
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Names and Synonyms

Name of Substance

  • 1,7-Dimethylxanthine

Synonyms

  • 1,7-Dimethylxanthine
  • 3,7-Dihydro-1,7-dimethyl-1H-purine-2,6-dione
  • 5-26-13-00554 (Beilstein Handbook Reference)
  • BRN 0197907
  • EINECS 210-271-9
  • NSC 400018
  • p-Xanthine
  • UNII-Q3565Y41V7
  • Xanthine, 1,7-dimethyl-

Systematic Names

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl- (9CI)
  • 3,7-Dihydro-1,7-dimethyl-1H-purine-2,6-dione
  • Paraxanthine

Registry Numbers

CAS Registry Number

  • 611-59-6

FDA UNII

  • Q3565Y41V7

System Generated Number

  • 0000611596

Structure Descriptors

InChI

InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)

InChIKey

QUNWUDVFRNGTCO-UHFFFAOYSA-N

Smiles

CN1C(=O)Nc2ncn(C)c2C1=O