alprazolam   Click here for help

GtoPdb Ligand ID: 7111

Synonyms: Niravam® | U-31889 | Xanax®
Approved drug PDB Ligand
alprazolam is an approved drug (FDA (1981))
Compound class: Synthetic organic
Comment: Alprazolam is a benzodiazepine drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 42.55
Molecular weight 308.08
XLogP 5.5
No. Lipinski's rules broken 1
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Canonical SMILES Clc1ccc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1
Isomeric SMILES Clc1ccc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1
InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups Benzodiazepine class drugs
Approved drug? Yes (FDA (1981))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
3426 alprazolam
Synonyms Click here for help
Niravam® | U-31889 | Xanax®
Database Links Click here for help
CAS Registry No. 51339-48-1
DrugBank Ligand DB00404
DrugCentral Ligand 136
GtoPdb PubChem SID 178103688
PubChem CID 2118
RCSB PDB Ligand 08H
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Wikipedia alprazolam