Empirical Formula of 3-Hydroxyxanthine hydrate (CAS NO.64038-49-9): C5H4N4O3
Molecular Weight: 168.1103
Index of Refraction: 1.765
Density: 1.98 g/cm3
Structure of 3-Hydroxyxanthine hydrate (CAS NO.64038-49-9):
IUPAC Name: 3-Hydroxy-7H-purine-2,6-dione hydrate
Canonical SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2O.O
InChI: InChI=1S/C5H4N4O3.H2O/c10-4-2-3(7-1-6-2)9(12)5(11)8-4;/h1,12H,(H,6,7)(H,8,10,11);1H2
InChIKey: BGQLASDHWPLTDZ-UHFFFAOYSA-N
Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition 3-Hydroxyxanthine hydrate (CAS NO.64038-49-9) emits toxic fumes of NOx. See also 3-HYDROXYXANTHINE; 7-HYDROXYXANTHINE; 3-HYDROXYXANTHINE ACETATE; 1-HYDROXYXANTHINE DIHYDRATE.
3-Hydroxyxanthine hydrate , its cas register number is 64038-49-9. It also can be called LS-162534 ; Xanthine, 3-hydroxy-, hydrate ; and 1H-Purine-2,6-dione, 3,7-dihydro-3-hydroxy-, monohydrate .
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