(S)-1-(4-Fluorophenyl)-4-(3,4,6,7,12,12alpha-Hexahydropyrazino[1',2':1,6]Pyrido[3,4-b]Indol-2(1H)-Yl)Butan-1-One
[CAS# 42021-35-2]

Identification

• Name: (S)-1-(4-Fluorophenyl)-4-(3,4,6,7,12,12alpha-Hexahydropyrazino[1',2':1,6]Pyrido[3,4-b]Indol-2(1H)-Yl)Butan-1-One
• Synonyms: (S)-1-(4-Fluorophenyl)-4-(3,4,6,7,12,12A-Hexahydropyrazino(1',2':1,6)Pyrido(3,4-B)Indol-2(1H)-Yl)Butan-1-One; Pyrazino(1',2':1,6)Pyrido(3,4-B)Indole, 1,2,3,4,6,7,12,12A-Octahydro-2-(3-(P-Fluorobenzoyl)Propyl)-, L-
• Molecular Formula: C₂₄H₂₆FN₃O
• Molecular Weight: 391.49
• CAS Registry Number: 42021-35-2
• EINECS: 255-630-0
• SMILES: [C@H]34N(CC1=C(C2=C([NH]1)C=CC=C2)C3)CCN(C4)CCCC(=O)C5=CC=C(F)C=C5
• InChI: 1S/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2/t19-/m0/s1
• InChIKey: YCNCIZWAGQTWBI-IBGZPJMESA-N

Properties

• Density: 1.291g/cm³ (Cal.)
• Boiling point: 594.194°C at 760 mmHg (Cal.)
• Flash point: 313.158°C (Cal.)