Solacapine
[CAS# 63785-22-8]

Identification

• Name: Solacapine
• Synonyms: (2R,3S,5R)-2-[(1S)-1-[(3S,5S,8R,9S,10S,13S,14S,16R,17R)-3-Amino-16-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Ethyl]-5-Methyl-Piperidin-3-Ol; (2R,3S,5R)-2-[(1S)-1-[(3S,5S,8R,9S,10S,13S,14S,16R,17R)-3-Amino-16-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Ethyl]-5-Methyl-3-Piperidinol; C10818
• Molecular Formula: C₂₇H₄₈N₂O₂
• Molecular Weight: 432.69
• CAS Registry Number: 63785-22-8
• SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2([C@@H](CC1)C[C@@H](N)CC2)C)CC3)C[C@@H](O)[C@@H]4[C@@H]([C@H]5NC[C@@H](C[C@@H]5O)C)C)C
• InChI: 1S/C27H48N2O2/c1-15-11-23(31)25(29-14-15)16(2)24-22(30)13-21-19-6-5-17-12-18(28)7-9-26(17,3)20(19)8-10-27(21,24)4/h15-25,29-31H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24+,25-,26+,27+/m1/s1
• InChIKey: SSDNUGHQUZHHEE-YGUMODFPSA-N

Properties

• Density: 1.065g/cm³ (Cal.)
• Boiling point: 561.368°C at 760 mmHg (Cal.)
• Flash point: 293.305°C (Cal.)