Alprazolam 5-Oxide
8-chloro-1-methyl-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium
Also Known As: Alprazolam 5-Oxide|Alprazolam5-Oxide|Alprazolam Impurity 28|8-Chloro-1-methyl-6-phenyl-4H-5lambda(5)-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-5-ol|Alprazolam 5-Oxide (1mg/ml in Acetonitrile)|Alprazolam 5-Oxide (1 mg/ml in Acetonitrile)|8-Chloro-1-methyl-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine 5-Oxide|4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine,8-chloro-1-methyl-6-phenyl-, 5-oxide|8-chloro-1-methyl-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium|4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-, 5-oxide|4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-phenyl-, 5-oxide|8-chloro-1-methyl-6-phenyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine 5-oxide|12-chloro-3-methyl-9-phenyl-2,4,5,8-tetraazatricyclo[8.4.0.0{2,6}]tetradeca-1(10),3,5,8,11,13-hexaen-8-ium-8-olate|8-Chloro-1-methyl-5-oxo-6-phenyl-4H-5lambda~5~-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine|8-Chloro-1-methyl-6-phenyl-4H-5.lambda.~5~-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ol
| Molecular Formula | C17H13ClN4O |
|---|---|
| Molecular Weight | 324.0778 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.0778 |
| Monoisotopic Mass | 324.0778 |
| Heavy Atoms | 23 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 30896-65-2 |
|---|---|
| SMILES | CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=[N+](C2)[O-])C4=CC=CC=C4 |
| InChIKey | WHYAIKHHRCPZBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alprazolam 5-Oxide (CAS 30896-65-2), with molecular formula C17H13ClN4O and molecular weight 324.0778 g/mol. IUPAC: 8-chloro-1-methyl-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium.