Etoperidone
[CAS# 52942-31-1]

Identification

• Name: Etoperidone
• Synonyms: 2-[3-[4-(3-Chlorophenyl)-1-Piperazinyl]Propyl]-4,5-Diethyl-1,2,4-Triazol-3-One Hydrochloride; 2-(3-(4-(3-Chlorophenyl)Piperazin-1-Yl)Propyl)-4,5-Diethyl-2,4-Dihydro-3H-1,2,4-Triazol-3-One Hydrochloride
• Molecular Formula: C₁₉H₂₉Cl₂N₅O
• Molecular Weight: 414.38
• CAS Registry Number: 52942-31-1
• EINECS: 258-268-1
• SMILES: [H+].C1=C(Cl)C=CC=C1N2CCN(CC2)CCCN3N=C(N(C3=O)CC)CC.[Cl-]
• 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
• InChIKey: BHKPQZVLIZKSAG-UHFFFAOYSA-N

Properties

• Boiling point: 499°C at 760 mmHg (Cal.)
• Flash point: 255.6°C (Cal.)