halazepam   Click here for help

GtoPdb Ligand ID: 7195

Synonyms: Alapryl® | SCH-12041
Approved drug
halazepam is an approved drug
Compound class: Synthetic organic
Comment: Halazepam is benzodiazepine drug.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 32.67
Molecular weight 352.06
XLogP 4.34
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc2c(c1)C(=NCC(=O)N2CC(F)(F)F)c1ccccc1
Isomeric SMILES Clc1ccc2c(c1)C(=NCC(=O)N2CC(F)(F)F)c1ccccc1
InChI InChI=1S/C17H12ClF3N2O/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)22-9-15(24)23(14)10-17(19,20)21/h1-8H,9-10H2
InChI Key WYCLKVQLVUQKNZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one
International Nonproprietary Names Click here for help
INN number INN
3339 halazepam
Synonyms Click here for help
Alapryl® | SCH-12041
Database Links Click here for help
CAS Registry No. 23092-17-3
ChEMBL Ligand CHEMBL970
DrugBank Ligand DB00801
DrugCentral Ligand 1348
GtoPdb PubChem SID 178103770
PubChem CID 31640
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Wikipedia Halazepam