estazolam   Click here for help

GtoPdb Ligand ID: 7550

Synonyms: D 40TA | Eurodin® | ProSom®
Approved drug
estazolam is an approved drug (FDA (1990))
Compound class: Synthetic organic
Comment: Estazolam is an intermediate-acting oral benzodiazepine derivative with anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant actions.
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 294.07
XLogP 5.65
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc2c(c1)C(=NCc1n2cnn1)c1ccccc1
Isomeric SMILES Clc1ccc2c(c1)C(=NCc1n2cnn1)c1ccccc1
InChI InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2
InChI Key CDCHDCWJMGXXRH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups Benzodiazepine class drugs
Approved drug? Yes (FDA (1990))
IUPAC Name Click here for help
8-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
International Nonproprietary Names Click here for help
INN number INN
3611 estazolam
Synonyms Click here for help
D 40TA | Eurodin® | ProSom®
Database Links Click here for help
CAS Registry No. 29975-16-4
ChEBI CHEBI:4858
ChEMBL Ligand CHEMBL285674
DrugBank Ligand DB01215
DrugCentral Ligand 1056
GtoPdb PubChem SID 223365886
PubChem CID 3261
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UniChem Compound Search for chemical match using the InChIKey CDCHDCWJMGXXRH-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey CDCHDCWJMGXXRH-UHFFFAOYSA-N
Wikipedia Estazolam