(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-N,N-Dimethylpentan-1-Amine
[CAS# 37106-88-0]

Identification

• Name: (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-N,N-Dimethylpentan-1-Amine
• Synonyms: (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-N,N-Dimethyl-Pentan-1-Amine; [(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentyl]-Dimethyl-Amine; 25-Azacoprostane
• Molecular Formula: C₂₆H₄₇N
• Molecular Weight: 373.66
• CAS Registry Number: 37106-88-0
• SMILES: [C@@H]12CCCC[C@@]1([C@@H]4[C@@H](CC2)[C@@H]3CC[C@H]([C@@H](CCCN(C)C)C)[C@@]3(C)CC4)C
• InChI: 1S/C26H47N/c1-19(9-8-18-27(4)5)22-13-14-23-21-12-11-20-10-6-7-16-25(20,2)24(21)15-17-26(22,23)3/h19-24H,6-18H2,1-5H3/t19-,20+,21+,22-,23+,24+,25+,26-/m1/s1
• InChIKey: LJQDDVJEZIEHNY-FHNVJLOUSA-N

Properties

• Density: 0.935g/cm³ (Cal.)
• Boiling point: 441.209°C at 760 mmHg (Cal.)
• Flash point: 194.991°C (Cal.)