6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide

[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-oxoethyl] 8-[2-(diethylamino)ethyl-ethylamino]-8-oxooctanoate

Also Known As: TMPS|6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide|[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-oxoethyl] 8-[2-(diethylamino)ethyl-ethylamino]-8-oxooctanoate|Pregna-1,4-diene-3,20-dione, 21-((8-((2-(diethylamino)ethyl)ethylamino)-1,8-dioxooctyl)oxy)-11,17-dihydroxy-6-methyl-, (6alpha,11beta)-|[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-oxoethyl] 8-[2-diethylaminoethyl(ethyl)amino]-8-oxooctanoate|11,17-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl 8-{[2-(diethylamino)ethyl](ethyl)amino}-8-oxooctanoate|11beta,17-Dihydroxy-6alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl 8-{[2-(diethylamino)ethyl](ethyl)amino}-8-oxooctanoate|pregna-1,4-diene-3,20-dione, 21-((8-((2-(diethylamino)ethyl)ethylamino)-1,8-dioxooctyl)oxy)-11,17-dihydroxy-6-methyl-,(6|A,11|A)-

Molecular Formula	C38H60N2O7
Molecular Weight	656.44006 g/mol
LogP	5.0
Topological Polar Surface Area	124.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	17
Exact Mass	656.44006
Monoisotopic Mass	656.44006
Heavy Atoms	47
Complexity	1230.0

Chemical Identifiers

CAS Number	3338-05-4
SMILES	CCN(CC)CCN(CC)C(=O)CCCCCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)C)O)C)O
InChIKey	MONVLJKZTUMHGF-WOWALGLLSA-N