Stelabid
[CAS# 60108-70-5]

Identification

• Name: Stelabid
• Synonyms: (4-Amino-4-Oxo-3,3-Diphenyl-Butyl)-Diisopropyl-Methyl-Ammonium; 10-[3-(4-Methylpiperazin-1-Yl)Propyl]-2-(Trifluoromethyl)Phenothiazine; Iodide; Dihydrochloride; (4-Amino-4-Oxo-3,3-Diphenylbutyl)-Diisopropyl-Methylammonium; 10-[3-(4-Methyl-1-Piperazinyl)Propyl]-2-(Trifluoromethyl)Phenothiazine
• Molecular Formula: C₄₄H₅₉Cl₂F₃IN₅OS
• Molecular Weight: 960.85
• CAS Registry Number: 60108-70-5
• SMILES: [H+].[H+].[Cl-].C(C1=CC=CC=C1)(CC[N+](C(C)C)(C(C)C)C)(C2=CC=CC=C2)C(=O)N.[I-].C3=C5C(=CC=C3C(F)(F)F)SC4=C(C=CC=C4)N5CCCN6CCN(CC6)C.[Cl-]
• InChI: 1S/C23H32N2O.C21H24F3N3S.2ClH.HI/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21;1-25-11-13-26(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;;;/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26);2-3,5-8,15H,4,9-14H2,1H3;3*1H
• InChIKey: SQNMQDPDOSETHS-UHFFFAOYSA-N

Properties

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