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Substance Name: N-Hydroxyxanthine
RN: 13479-29-3
UNII: JQK94071CQ
InChIKey: WYOFOAXXUITNKN-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Tumor Data

Molecular Formula

  • C5-H4-N4-O3

Molecular Weight

  • 168.1116
 
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Names and Synonyms

Name of Substance

  • N-Hydroxyxanthine

Synonyms

  • 1H-Purine-2,6-dione, 3,7-dihydro-3-hydroxy-
  • 3-Hydroxyxanthine
  • CCRIS 343
  • NSC 145424
  • UNII-JQK94071CQ
  • Xanthine-3-N-oxide
  • Xanthine-x-N-oxide

Systematic Names

  • 1H-Purine-2,6-dione, 3,7-dihydro-3-hydroxy- (9CI)
  • 3,7-Dihydro-3-hydroxy-1H-purine-2,6-dione
  • 3-Hydroxyxanthine
  • Xanthine, 3-hydroxy-

Registry Numbers

CAS Registry Number

  • 13479-29-3

FDA UNII

  • JQK94071CQ

Related Registry Number

  • 64038-49-9 (monohydrate)

System Generated Number

  • 0013479293

Structure Descriptors

InChI

1S/C5H4N4O3/c10-4-2-3(7-1-6-2)9(12)5(11)8-4/h1,12H,(H,6,7)(H,8,10,11)

InChIKey

WYOFOAXXUITNKN-UHFFFAOYSA-N

Smiles

c12n(c(=O)[nH]c(c1[nH]cn2)=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 100mg/kg (100mg/kg)   Archives of Pathology. Vol. 86, Pg. 395, 1968.
rat LDLo subcutaneous 770mg/kg (770mg/kg)   Cancer Research. Vol. 30, Pg. 179, 1970.