clobetasone   Click here for help

GtoPdb Ligand ID: 9088

Synonyms: Eumovate®
Approved drug Immunopharmacology Ligand
clobetasone is an approved drug (UK (1999))
Compound class: Synthetic organic
Comment: Clobetasone is a corticosteroid used in dermatology.
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 71.44
Molecular weight 408.15
XLogP 1.38
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES ClCC(=O)C1(O)C(C)CC2C1(C)CC(=O)C1(C2CCC2=CC(=O)C=CC12C)F
Isomeric SMILES ClCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@]1(C)CC(=O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F
InChI InChI=1S/C22H26ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-16,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19-,20-,21-,22-/m0/s1
InChI Key XXIFVOHLGBURIG-OZCCCYNHSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (UK (1999))
IUPAC Name Click here for help
(8S,9R,10S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-17-hydroxy-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-3,11-dione
International Nonproprietary Names Click here for help
INN number INN
3155 clobetasone
Synonyms Click here for help
Eumovate®
Database Links Click here for help
GtoPdb PubChem SID 315661173
PubChem CID 71387
Search Google for chemical match using the InChIKey XXIFVOHLGBURIG-OZCCCYNHSA-N
Search Google for chemicals with the same backbone XXIFVOHLGBURIG
Search PubMed clinical trials clobetasone
Search PubMed titles clobetasone
Search PubMed titles/abstracts clobetasone
Search UniChem for chemical match using the InChIKey XXIFVOHLGBURIG-OZCCCYNHSA-N
Search UniChem for chemicals with the same backbone XXIFVOHLGBURIG
Wikipedia Clobetasone