Basic information
- CAS
30896-57-2- Standard SMILES
Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2O- InChIKey
CEYGCFLPQFNPST-UHFFFAOYSA-N- Molecular formula
- C17H13ClN4O
- Average molar mass
- 324.8 g/mol
- Monoisotopic mass
- 324.0777887
Overview
4-Hydroxyalprazolam is a triazolobenzodiazepine.
Names & identifiers
- Preferred name
- 4-Hydroxyalprazolam
- IUPAC
- 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-ol
- English name
- 4-Hydroxyalprazolam
- Molecular formula
- C17H13ClN4O
- Molecular weight
- 324.76
Names & synonyms
4-Hydroxyalprazolam30896-57-2RS-4-HydroxyalprazolamU0COM4319XDTXSID909322404H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepin-4-ol, 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepin-4-ol, 8-chloro-1-methyl-6-phenyl-RefChem:912577DTXCID6013609344-hydroxy Alprazolam8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-ol4-HYDROXY-ALPRAZOLAM
Show more names
4-Hydroxy Alprazolam Methanoate
4-Hydroxyalprazolam; RS-4-HydroxyalprazolamUNII-U0COM4319X8-CHLORO-1-METHYL-6-PHENYL-4H-(1,2,4)TRIAZOLO(4,3-A)(1,4)BENZODIAZEPIN-4-OLCHEMBL1313SCHEMBL10891720SCHEMBL30150892SCHEMBL30150893CHEBI:183714
Database identifiers
- CAS
30896-57-2- PubChem CID
- 182017
- DTXSID
DTXSID90932240- ChEMBL
CHEMBL1313- ChEBI
CHEBI:183714- UNII
- U0COM4319X
- Nikkaji
- J807.558A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 468
Physicochemical properties
- Melting point
- 160 · 160-1620C
- Boiling point
- 559.2 · 559.2±60.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Controlled Substance, -20°C Freezer
- solubility
- 8 mg/ml · DMSO: 8 mg/ml
- form
- White solid.
- pka
- 11.59 · 11.59±0.40(Predicted)
- FDA UNII
- 0 COM4319X · U0COM4319X
Chemistry & industry
Pharmacology
Metabolism/Metabolites4-Hydroxyalprazolam is a known human metabolite of alprazolam.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Applications
DescriptionAlprazolam is a benzodiazepine with anxiolytic and sedative actions. 4-Hydroxyalprazolam is a major metabolite of alprazolam, produced by the actions of cytochrome P450 (CYP) isoforms CYP3A4 and CYP3A5. It may be detected in serum or, in a glucuronidated form, in urine. Alternatively, 4-hydroxyalprazolam can be further metabolized to benzophenone.
UsesA metabolite of Alprazolam, a benzodiazepine. Controlled Substance
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers10 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
ChemeGen 中国18818260767 · [email protected]
佛山合硕医药科技有限公司15363639686 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Additional notes
DefinitionChEBI: 4-Hydroxyalprazolam is a triazolobenzodiazepine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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