Flurazepam hydrochlorideProduct ingredient for Flurazepam

Name
Flurazepam hydrochloride
Drug Entry
Flurazepam

A benzodiazepine derivative used mainly as a hypnotic.

Accession Number
DBSALT000543
Structure
Synonyms
Flurazepam HCl
UNII
7C4JH842IJ
CAS Number
36105-20-1
Weight
Average: 424.339
Monoisotopic: 423.128046024
Chemical Formula
C21H24Cl2FN3O
InChI Key
PUGVROXLRUQCAF-UHFFFAOYSA-N
InChI
InChI=1S/C21H23ClFN3O.ClH/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;1H
IUPAC Name
7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one hydrochloride
SMILES
Cl.CCN(CC)CCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F
PubChem Compound
37368
ChemSpider
34286
ChEBI
31626
ChEMBL
CHEMBL1200602
Wikipedia
Flurazepam
Predicted Properties
PropertyValueSource
Water Solubility0.01 mg/mLALOGPS
logP3.81ALOGPS
logP3.95Chemaxon
logS-4.6ALOGPS
pKa (Strongest Basic)8.71Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area35.91 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity107.54 m3·mol-1Chemaxon
Polarizability41.2 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon