alprazolam   

GtoPdb Ligand ID: 7111

Synonyms: Niravam® | U-31889 | Xanax®
alprazolam is an approved drug (FDA (1981))
Compound class: Synthetic organic
Comment: Alprazolam is a benzodiazepine drug.
2D Structure
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Physico-chemical Properties
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
SMILES / InChI / InChIKey
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
InChI Key VREFGVBLTWBCJP-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1981))
IUPAC Name
8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
International Nonproprietary Names
INN number INN
3426 alprazolam
Synonyms
Niravam® | U-31889 | Xanax®
Comments
Alprazolam is a benzodiazepine drug.
Database Links
CAS Registry No. 51339-48-1
ChEMBL Ligand CHEMBL661
DrugBank Ligand DB00404
DrugCentral Ligand 136
GtoPdb PubChem SID 178103688
PubChem CID 2118
RCSB PDB Ligand 08H
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Wikipedia alprazolam