N-[(2R)-1-({[(1R,3S)-3-(Aminomethyl)Cyclohexyl]Methyl}Amino)-3-(1H-Indol-3-Yl)-1-Oxo-2-Propanyl]-1'H-Spiro[Indene-1,4'-Piperidine]-1'-Carboxamide
[CAS# 208706-12-1]

Identification

• Name: N-[(2R)-1-({[(1R,3S)-3-(Aminomethyl)Cyclohexyl]Methyl}Amino)-3-(1H-Indol-3-Yl)-1-Oxo-2-Propanyl]-1'H-Spiro[Indene-1,4'-Piperidine]-1'-Carboxamide
• Synonyms: (1R,1'S,3'R/1R,1'R,3'S)-L-054,264; N-[(1R)-2-[[[(1S*,3R*)-3-(Aminomethyl)cyclohexyl]methyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxoethyl]spiro[1H-indene-1,4'-piperidine]-1'-carboxamide
• Molecular Formula: C₃₃H₄₁N₅O₂
• Molecular Weight: 539.71
• CAS Registry Number: 208706-12-1
• SMILES: C1C[C@@H](C[C@@H](C1)CNC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)N4CCC5(CC4)C=CC6=CC=CC=C56)CN
• InChI: 1S/C33H41N5O2/c34-20-23-6-5-7-24(18-23)21-36-31(39)30(19-26-22-35-29-11-4-2-9-27(26)29)37-32(40)38-16-14-33(15-17-38)13-12-25-8-1-3-10-28(25)33/h1-4,8-13,22-24,30,35H,5-7,14-21,34H2,(H,36,39)(H,37,40)/t23-,24+,30+/m0/s1
• InChIKey: DAMXHAMKVXERLM-FVBCXUTKSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 865.2±65.0°C at 760 mmHg (Cal.)
• Flash point: 477.1±34.3°C (Cal.)
• Refractive index: 1.668 (Cal.)
• solubility: Soluble to 50 mM in DMSO and to 100 mM in ethanol