CAS Registry Number®
69-89-6
CAS Name
Xanthine
Molecular Formula
C5H4N4O2
Molecular Mass
152.11
Compound Properties
-
Melting Point (1)
345 °C (decomp)
Source(s)
- (1) Biltz, Heinrich; Justus Liebigs Annalen der Chemie, (1921), 423, 200-26, CAplus
Other Names and Identifiers
InChI
InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChIKey
InChIKey=LRFVTYWOQMYALW-UHFFFAOYSA-N
SMILES
O=C1C2=C(NC(=O)N1)N=CN2
Canonical SMILES
O=C1NC(=O)C=2NC=NC2N1
Other Names for this Substance
- 1H-Purine-2,6-dione, 3,9-dihydro-
- 1H-Purine-2,6-dione, 3,7-dihydro-
- Xanthine
- 3,9-Dihydro-1H-purine-2,6-dione
- 2,6-Dioxopurine
- Isoxanthine
- Purine-2,6(1H,3H)-dione
- Xanthic oxide
- 9H-Purine-2,6(1H,3H)-dione
- Pseudoxanthine
- 1H-Purine-2,6-diol
- 2,6-Dioxo-1,2,3,6-tetrahydropurine
- Xanthin
- Xan
- 1H,3H,7H-Xanthine
- 3,9-Dihydropurine-2,6-dione
- NSC 14664
- 1H,3H,9H-Xanthine
- 1H-Purine-2,6(3H,7H)-dione
- 2,3,6,9-Tetrahydro-1H-purine-2,6-dione
- 2-Hydroxy-6,7-dihydro-1H-purin-6-one
- 3,7-Dihydropurine-2,6-dione
- 2-Hydroxy-6,9-dihydro-1H-purin-6-one
- MeSH ID: D019820
Deleted or Replaced CAS Registry Numbers
6050-36-8, 6053-41-4, 16819-86-6, 28522-58-9, 33669-67-9, 42911-15-9, 51953-26-5
