Ipsapirone
[CAS# 92589-98-5]

Identification

• Name: Ipsapirone
• Synonyms: 1,1-Dioxo-2-[4-[4-(2-Pyrimidinyl)-1-Piperazinyl]Butyl]-1,2-Benzothiazol-3-One Hydrochloride; 1,1-Diketo-2-[4-[4-(2-Pyrimidyl)Piperazin-1-Yl]Butyl]-1,2-Benzothiazol-3-One Hydrochloride; D04611
• Molecular Formula: C₁₉H₂₄ClN₅O₃S
• Molecular Weight: 437.94
• CAS Registry Number: 92589-98-5
• SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
• InChI: 1S/C19H23N5O3S.ClH/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19;/h1-2,5-9H,3-4,10-15H2;1H
• InChIKey: USDUGJXCPKBJTN-UHFFFAOYSA-N

Properties

• Boiling point: 629.8°C at 760 mmHg (Cal.)
• Flash point: 334.7°C (Cal.)