3-(3,4,6,7,8,8alpha-Hexahydro-1H-Pyrrolo[2,1-c]Pyrazin-2-Yl)-1-(2-Chlorophenothiazin-10-Yl)Propan-1-One
[CAS# 49864-70-2]

Identification

• Name: 3-(3,4,6,7,8,8alpha-Hexahydro-1H-Pyrrolo[2,1-c]Pyrazin-2-Yl)-1-(2-Chlorophenothiazin-10-Yl)Propan-1-One
• Synonyms: 3-(3,4,6,7,8,8A-Hexahydro-1H-Pyrrolo[2,1-C]Pyrazin-2-Yl)-1-(2-Chloro-10-Phenothiazinyl)Propan-1-One; Azachlorzine; Cds1_002412
• Molecular Formula: C₂₂H₂₄ClN₃OS
• Molecular Weight: 413.96
• CAS Registry Number: 49864-70-2
• SMILES: C1=C(Cl)C=CC3=C1N(C2=C(C=CC=C2)S3)C(CCN5CC4N(CCC4)CC5)=O
• InChI: 1S/C22H24ClN3OS/c23-16-7-8-21-19(14-16)26(18-5-1-2-6-20(18)28-21)22(27)9-11-24-12-13-25-10-3-4-17(25)15-24/h1-2,5-8,14,17H,3-4,9-13,15H2
• InChIKey: ZQTOZLYOIRKCPL-UHFFFAOYSA-N

Properties

• Density: 1.391g/cm³ (Cal.)
• Boiling point: 644.84°C at 760 mmHg (Cal.)
• Flash point: 343.787°C (Cal.)