fluorometholone   

GtoPdb Ligand ID: 7079

Synonyms: Flarex® | FML®
fluorometholone is an approved drug (FDA (1972))
Compound class: Synthetic organic
Comment: Fluorometholone is a corticosteroid.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 74.6
Molecular weight 376.2
XLogP 1.95
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1C=CC2(C(=C1)C(C)CC1C2(F)C(O)CC2(C1CCC2(O)C(=O)C)C)C
Isomeric SMILES O=C1C=C[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@]2(F)[C@@H](O)C[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C
InChI InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1
InChI Key FAOZLTXFLGPHNG-KNAQIMQKSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1972))
IUPAC Name
(6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
International Nonproprietary Names
INN number INN
803 fluorometholone
Synonyms
Flarex® | FML®
Database Links
CAS Registry No. 426-13-1
ChEMBL Ligand CHEMBL1200600
DrugBank Ligand DB00324
DrugCentral Ligand 1208
GtoPdb PubChem SID 178103658
PubChem CID 9878
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Wikipedia Fluorometholone