6-Methylprednisolone-21-Hemisuberate N,N,N'-Triethylenediamine Amide
[CAS# 96608-40-1]

Identification

• Name: 6-Methylprednisolone-21-Hemisuberate N,N,N'-Triethylenediamine Amide
• Synonyms: [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-6,10,13-Trimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] 8-(2-Diethylaminoethyl-Ethyl-Amino)-8-Oxo-Octanoate; 8-(2-Diethylaminoethyl-Ethylamino)-8-Oxooctanoic
• Molecular Formula: C₃₈H₆₀N₂O₇
• Molecular Weight: 656.90
• CAS Registry Number: 96608-40-1
• SMILES: [C@H]24[C@H]1[C@@]([C@](O)(CC1)C(=O)COC(=O)CCCCCCC(=O)N(CCN(CC)CC)CC)(C[C@H](O)[C@@H]2[C@@]3(C(=CC(=O)C=C3)[C@H](C4)C)C)C
• InChI: 1S/C38H60N2O7/c1-7-39(8-2)20-21-40(9-3)33(44)14-12-10-11-13-15-34(45)47-25-32(43)38(46)19-17-29-28-22-26(4)30-23-27(41)16-18-36(30,5)35(28)31(42)24-37(29,38)6/h16,18,23,26,28-29,31,35,42,46H,7-15,17,19-22,24-25H2,1-6H3/t26-,28-,29-,31-,35+,36-,37-,38-/m0/
• InChIKey: MONVLJKZTUMHGF-WOWALGLLSA-N

Properties

• Density: 1.166g/cm³ (Cal.)
• Boiling point: 766.67°C at 760 mmHg (Cal.)
• Flash point: 417.467°C (Cal.)