desoximetasone   

GtoPdb Ligand ID: 7067

Synonyms: A-41-304 | HOE-304 | R-2113 | Topicort®
desoximetasone is an approved drug (FDA (1977))
Comment: Desoximetasone is a corticosteroid.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 74.6
Molecular weight 376.2
XLogP 2.29
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCC(=O)C1C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F
Isomeric SMILES OCC(=O)[C@H]1[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F
InChI InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22+/m1/s1
InChI Key VWVSBHGCDBMOOT-IIEHVVJPSA-N
Classification
Compound class Metabolite or derivative
Approved drug? Yes (FDA (1977))
IUPAC Name
(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
International Nonproprietary Names
INN number INN
2467 desoximetasone
Synonyms
A-41-304 | HOE-304 | R-2113 | Topicort®
Database Links
CAS Registry No. 382-67-2
ChEMBL Ligand CHEMBL1766
DrugBank Ligand DB00547
DrugCentral Ligand 819
GtoPdb PubChem SID 178103646
PubChem CID 5311067
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Wikipedia Desoximetasone