flumethasone pivalate   

GtoPdb Ligand ID: 7075

Synonyms: Locorten®
flumethasone pivalate is an approved drug
Compound class: Synthetic organic
Comment: Flumethasone pivalate is a corticosteroid.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 100.9
Molecular weight 494.25
XLogP 2.13
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1C=CC2(C(=C1)C(F)CC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)C(C)(C)C)C)C)C
Isomeric SMILES O=C1C=C[C@]2(C(=C1)[C@@H](F)C[C@@H]1[C@]2(F)[C@@H](O)C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)C(C)(C)C)C)C)C
InChI InChI=1S/C27H36F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4/h7-8,10,14,16-17,19-20,31,34H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,24+,25+,26+,27+/m1/s1
InChI Key JWRMHDSINXPDHB-OJAGFMMFSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate
International Nonproprietary Names
INN number INN
1355 flumetasone
Synonyms
Locorten®
Database Links
CAS Registry No. 2002-29-1
ChEMBL Ligand CHEMBL1200877
DrugBank Ligand DB00663
DrugCentral Ligand 1198
GtoPdb PubChem SID 178103654
PubChem CID 443980
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Wikipedia Flumetasone