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Substance Name: 3-Acetoxyxanthine
RN: 22052-01-3
UNII: 76B8S4B069
InChIKey: JFZOYDLNLQWKIZ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H6-N4-O4

Molecular Weight

  • 210.1484
 
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Names and Synonyms

Name of Substance

  • 3-Acetoxyxanthine

Synonyms

  • 3-(Acetyloxy-3,7-dihydro)-1H-purine-2,6-dione
  • 3-Acetoxyxanthine
  • 3-Hydroxyxanthine acetate
  • UNII-76B8S4B069

Systematic Names

  • 1H-Purine-2,6-dione, 3-(acetyloxy)-3,7-dihydro- (9CI)
  • Xanthine, 3-acetoxy- (8CI)
  • Xanthine, 3-hydroxy-, acetate

Registry Numbers

CAS Registry Number

  • 22052-01-3

FDA UNII

  • 76B8S4B069

System Generated Number

  • 0022052013

Structure Descriptors

InChI

1S/C7H6N4O4/c1-3(12)15-11-5-4(8-2-9-5)6(13)10-7(11)14/h2H,1H3,(H,8,9)(H,10,13,14)

InChIKey

JFZOYDLNLQWKIZ-UHFFFAOYSA-N

Smiles

CC(=O)On1c2c(c(=O)[nH]c1=O)[nH]cn2