Etoperidone hydrochlorideProduct ingredient for Etoperidone

Name
Etoperidone hydrochloride
Drug Entry
Etoperidone

Etoperidone is an atypical antidepressant introduced in Europe in 1977. It is a phenylpiperazine-substituted triazole derivative with a composition that classifies it as an analog of tradozone and presents a similar pharmacological profile.6 Etoperidone was developed by Angelini Francesco ACRAF and even nowadays, there is uncertanty if this drug ever reached the market.2

Accession Number
DBSALT002572
Structure
Thumb
Synonyms
Etoperidone HCl
External IDs
MCN-A-2673-11
UNII
2FSU2FR80J
CAS Number
57775-22-1
Weight
Average: 414.38
Monoisotopic: 413.174916
Chemical Formula
C19H29Cl2N5O
InChI Key
BHKPQZVLIZKSAG-UHFFFAOYSA-N
InChI
InChI=1S/C19H28ClN5O.ClH/c1-3-18-21-25(19(26)24(18)4-2)10-6-9-22-11-13-23(14-12-22)17-8-5-7-16(20)15-17;/h5,7-8,15H,3-4,6,9-14H2,1-2H3;1H
IUPAC Name
1-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3,4-diethyl-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
SMILES
Cl.CCN1C(=O)N(CCCN2CCN(CC2)C2=CC=CC(Cl)=C2)N=C1CC
External Links
ChemSpider
58924
ChEMBL
CHEMBL3085482
Predicted Properties
PropertyValueSource
Water Solubility0.425 mg/mLALOGPS
logP2.81ALOGPS
logP3.37ChemAxon
logS-3ALOGPS
pKa (Strongest Basic)7.09ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area42.39 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity106.57 m3·mol-1ChemAxon
Polarizability42.23 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon