CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C
CAS: 50-02-2
Name: (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C

Molecular Processing

Molecular formula
C22H29FO5
Molecular weight
392.47
Exact mass
392.1999
XLogP
1.9
TPSA
94.83
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
28
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
8
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
99.94

Supplementary Information

InChIKey: UREBDLICKHMUKA-CXSFZGCWSA-N
Synonyme
dexamethasone50-02-2DecadronAeroseb-DexCortisummanCalonatDecadermDexacortalDexacortinPrednisolone FFluormethylprednisoloneDeltafluoreneHexadecadrolSuperprednolVisumetazoneAphtasolonDecasoneDecasprayDekacortDesadreneDesametonDexadeltoneDexalonaDexamethDexapolcortFortecortinGammacortenMillicortenAuxironCorsone
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