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
Thumb
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
PropertyValueSource
Water Solubility0.00374 mg/mLALOGPS
logP3.75ALOGPS
logP4.18ChemAxon
logS-5.1ALOGPS
pKa (Strongest Acidic)13.4ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area100.9 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity132.31 m3·mol-1ChemAxon
Polarizability52.09 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon