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.7 Etoperidone was developed by Angelini Francesco ACRAF.2
- Accession Number
- DBSALT002572
- Structure
Structure for Etoperidone hydrochloride (DBSALT002572)
- 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
Property Value Source Water Solubility 0.425 mg/mL ALOGPS logP 2.81 ALOGPS logP 3.37 Chemaxon logS -3 ALOGPS pKa (Strongest Basic) 7.09 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 42.39 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 106.57 m3·mol-1 Chemaxon Polarizability 42.23 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon