Solacapine
[CAS# 63785-22-8]

基本信息

• 产品名称: Solacapine
• 英文名: Solacapine
• 别名: (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
• 分子式: C₂₇H₄₈N₂O₂
• 分子量: 432.69
• CAS 登录号: 63785-22-8
• 分子行输入简码 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
• 国际化学标识码 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
• 国际化学标识检索码 InChIKey: SSDNUGHQUZHHEE-YGUMODFPSA-N

物理化学性质

• 密度: 1.065g/cm³ （计算值）
• 沸点: 561.368°C at 760 mmHg （计算值）
• 闪点: 293.305°C （计算值）