Parstelin
[CAS# 60108-71-6]

Identification

• Name: Parstelin
• Synonyms: 10-[3-(4-Methyl-1-Piperazinyl)Propyl]-2-(Trifluoromethyl)Phenothiazine; (1R,2S)-2-Phenyl-1-Cyclopropanamine; Sulfuric Acid; Dihydrochloride; 10-[3-(4-Methylpiperazin-1-Yl)Propyl]-2-(Trifluoromethyl)Phenothiazine; [(1R,2S)-2-Phenylcyclopropyl]Amine
• Molecular Formula: C₃₉H₅₀Cl₂F₃N₅O₄S₂
• Molecular Weight: 844.88
• CAS Registry Number: 60108-71-6
• SMILES: N[C@H]1[C@@H](C1)C2=CC=CC=C2.[C@@H]3([C@H](N)C3)C4=CC=CC=C4.[H+].[H+].C(N5CCN(CC5)C)CCN6C8=C(SC7=CC=CC=C67)C=CC(=C8)C(F)(F)F.[Cl-].[Cl-].O=[S](O)(O)=O
• InChI: 1S/C21H24F3N3S.2C9H11N.2ClH.H2O4S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;2*10-9-6-8(9)7-4-2-1-3-5-7;;;1-5(2,3)4/h2-3,5-8,15H,4,9-14H2,1H3;2*1-5,8-9H,6,10H2;2*1H;(H2,1,2,3,4)/t;2*8-,9+;;;/m.00.../s1
• InChIKey: BQKMLEDPPJXQHL-SWWQTYDDSA-N

Properties

• Boiling point: 506°C at 760 mmHg (Cal.)
• Flash point: 259.8°C (Cal.)