flurazepam   

GtoPdb Ligand ID: 7188

Synonyms: Dalmane® | Ro-5-6901 | Ro-56901
flurazepam is an approved drug (FDA (1970))
Compound class: Synthetic organic
Comment: Flurazepam is a benzodiazepine drug.
Marketed formulations may contain flurazepam hydrochloride (PubChem CID 37368).
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 35.91
Molecular weight 387.15
XLogP 3.78
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC
Isomeric SMILES CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC
InChI InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3
InChI Key SAADBVWGJQAEFS-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1970))
IUPAC Name
7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one
International Nonproprietary Names
INN number INN
2551 flurazepam
Synonyms
Dalmane® | Ro-5-6901 | Ro-56901
Database Links
CAS Registry No. 17617-23-1
ChEMBL Ligand CHEMBL968
DrugBank Ligand DB00690
DrugCentral Ligand 1218
GtoPdb PubChem SID 178103763
PubChem CID 3393
RCSB PDB Ligand FL7
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Wikipedia Flurazepam