Betamethasone benzoateProduct ingredient for Betamethasone
- Name
- Betamethasone benzoate
- Drug Entry
- Betamethasone
Betamethasone is a long-acting corticosteroid with immunosuppressive and antiinflammatory properties.11 It can be used topically to manage inflammatory skin conditions such as eczema, and parenterally to manage several disease states including autoimmune disorders.11 Betamethasone has potent glucocorticoid activity and negligible mineralocorticoid activity.11
- Accession Number
- DBSALT001122
- Structure
- Synonyms
- Not Available
- UNII
- 877K0XW47A
- CAS Number
- 22298-29-9
- Weight
- Average: 496.575
Monoisotopic: 496.226116946 - Chemical Formula
- C29H33FO6
- InChI Key
- SOQJPQZCPBDOMF-YCUXZELOSA-N
- InChI
- InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1
- IUPAC Name
- (1R,2S,10S,11S,13S,14R,15S,17S)-1-fluoro-17-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl benzoate
- SMILES
- [H][C@]1(C)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@]([H])(O)C[C@]2(C)[C@@]1(OC(=O)C1=CC=CC=C1)C(=O)CO
- External Links
- ChemSpider
- 4445633
- ChEBI
- 135798
- ChEMBL
- CHEMBL1200376
- ZINC
- ZINC000004212134
- Wikipedia
- Betamethasone_benzoate
- Predicted Properties
Property Value Source Water Solubility 0.00374 mg/mL ALOGPS logP 3.75 ALOGPS logP 4.18 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 13.4 Chemaxon pKa (Strongest Basic) -3.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 100.9 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 132.31 m3·mol-1 Chemaxon Polarizability 52.09 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon