Pelanserin
[CAS# 42877-18-9]

Identification

• Name: Pelanserin
• Synonyms: 3-[3-(4-Phenyl-1-Piperazinyl)Propyl]-1H-Quinazoline-2,4-Dione Hydrochloride; 3-[3-(4-Phenylpiperazin-1-Yl)Propyl]-1H-Quinazoline-2,4-Quinone Hydrochloride; Pelanserin Hydrochloride (Usan)
• Molecular Formula: C₂₁H₂₅ClN₄O₂
• Molecular Weight: 400.91
• CAS Registry Number: 42877-18-9 (2208-51-7)
• SMILES: [H+].C1=CC=CC2=C1C(=O)N(C(=O)N2)CCCN4CCN(C3=CC=CC=C3)CC4.[Cl-]
• InChI: 1S/C21H24N4O2.ClH/c26-20-18-9-4-5-10-19(18)22-21(27)25(20)12-6-11-23-13-15-24(16-14-23)17-7-2-1-3-8-17;/h1-5,7-10H,6,11-16H2,(H,22,27);1H
• InChIKey: SXZRLCAHCIRKJU-UHFFFAOYSA-N

Properties

• Boiling point: 578.1°C at 760 mmHg (Cal.)
• Flash point: 303.4°C (Cal.)