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Substance Name: Xanthine 7-N-oxide
RN: 16870-90-9
InChIKey: INDAQGIDBUPVSF-UHFFFAOYSA-O

Classification Code

  • Tumor Data

Molecular Formula

  • C5-H4-N4-O3

Molecular Weight

  • 168.112
 
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Names and Synonyms

Synonyms

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-hydroxy-
  • 5-26-14-00133 (Beilstein Handbook Reference)
  • 7-Hydroxyxanthine
  • BRN 0522274
  • CCRIS 2477
  • Xanthine, 7-hydroxy-

Systematic Names

  • 7-Hydroxyxanthine
  • Xanthine 7-N-oxide

Registry Numbers

CAS Registry Number

  • 16870-90-9

System Generated Number

  • 0016870909

Structure Descriptors

InChI

1S/C5H3N4O3/c10-4-2-3(6-1-9(2)12)7-5(11)8-4/h1H,(H2,7,8,10,11)/q-1/p+1

InChIKey

INDAQGIDBUPVSF-UHFFFAOYSA-O

Smiles

n1(cnc2[nH+]c(=O)[nH]c(=O)c12)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 200mg/kg (200mg/kg)   Advances in Teratology. Vol. 3, Pg. 181, 1968.