1257650-98-8
(8S,9S,10R,13S,14S,17R)-2,2,4,6,6,9,12,12-octadeuterio-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,7,8,14,15,16-hexahydrocyclopenta[a]phenanthrene-3,11-dione
Molecular Identity
1257650-98-8
(8S,9S,10R,13S,14S,17R)-2,2,4,6,6,9,12,12-octadeuterio-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,7,8,14,15,16-hexahydrocyclopenta[a]phenanthrene-3,11-dione
PubChem CID: 124203157
2D Structure
Properties
C21H28O5
Molecular Formula
368.50
Molecular Weight
g/mol
368.2439
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
91.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
724
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(17)
1257650-98-8(1R,3aS,3bS,9aR,9bS,11aS)-1-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl(5,5,6,8,8,9b,11,11-2H8)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione(1R,3aS,3bS,9aR,9bS,11aS)-1-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl(5,5,6,8,8,9b,11,11-2H8)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthrene-7,10-dioneRefChem:393339999-052-3Cortisone-d8Cortisone-2,2,4,6,6,9,12,12-dorb2280973orb2300175MSK8064MSK8064-100AMSK8064-100MHY-17461S1CS-0311993Cortisone-d8 Solution in Methanol, 100ug/mL
Data from PubChem (NCBI)
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