betamethasone   Click here for help

GtoPdb Ligand ID: 7061

Synonyms: SCH-4831
Approved drug Immunopharmacology Ligand
betamethasone is an approved drug (FDA (1961))
Comment: Marketed medications may contain dipropionate (eg Diprosone® and Diprolene®), sodium phosphate (eg Bentelan®) or valerate (eg Betnovate® and Celestone®) formulations.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 94.83
Molecular weight 392.2
XLogP 1.14
No. Lipinski's rules broken 0
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Canonical SMILES OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F
Isomeric SMILES OCC(=O)[C@@]1(O)[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/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
Classification Click here for help
Compound class Metabolite or derivative
Approved drug? Yes (FDA (1961))
WHO Essential Medicine WHO Essential Medicines List (EML) (23rd List, 2023). Access PDF version.
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IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1045 betamethasone
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 378-44-9
DrugBank Ligand DB00443
DrugCentral Ligand 348
GtoPdb PubChem SID 178103640
Immunopaedia Search betamethasone
PubChem CID 9782
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Wikipedia Betamethasone