desonide   Click here for help

GtoPdb Ligand ID: 7066

Synonyms: D-2083 | Desowen®
Approved drug Immunopharmacology Ligand
desonide is an approved drug (FDA (1972))
Comment: Desonide is a corticosteroid.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 93.06
Molecular weight 416.22
XLogP 1.4
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CCC1=CC(=O)C=CC21C)(C)C
Isomeric SMILES OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1CCC1=CC(=O)C=C[C@]21C)(C)C
InChI InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1
InChI Key WBGKWQHBNHJJPZ-LECWWXJVSA-N
Classification Click here for help
Compound class Natural product or derivative
Approved drug? Yes (FDA (1972))
International Nonproprietary Names Click here for help
INN number INN
2889 desonide
Synonyms Click here for help
D-2083 | Desowen®
Database Links Click here for help
CAS Registry No. 638-94-8
ChEBI CHEBI:204734
ChEMBL Ligand CHEMBL1201109
DrugBank Ligand DB01260
DrugCentral Ligand 3135
GtoPdb PubChem SID 178103645
PubChem CID 5311066
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Wikipedia Desonide