N-Propyl-20-dihydroprednisolonamide

(2S)-2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-N-propylacetamide

Also Known As: PDHPA|N-Propyl-20-dihydroprednisolonamide|KST-1A0114|(11|A,20s)-11,17,20-trihydroxy-3-oxo-n-propylpregna-1,4-dien-21-amide|11,17,20-Trihydroxy-3-oxo-N-propylpregna-1,4-dien-21-imidic acid|(20S)-11beta,17,20-Trihydroxy-3-oxo-N-propylpregna-1,4-dien-21-imidic acid|(20S)-21-(Propylamino)-11beta,17,20-trihydroxypregna-1,4-diene-3,21-dione|(2S)-2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-hydroxy-N-propylacetamide|(2S)-2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-N-propylacetamide

Molecular Formula	C24H35NO5
Molecular Weight	417.25153 g/mol
LogP	2.3
Topological Polar Surface Area	107.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	417.25153
Monoisotopic Mass	417.25153
Heavy Atoms	30
Complexity	805.0

Chemical Identifiers

CAS Number	5331-06-6
SMILES	CCCNC(=O)[C@H]([C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O)O
InChIKey	QCSKXRDWWIHQMW-SSPJBBJHSA-N