Betamethasone acetateProduct ingredient for Betamethasone

Name
Betamethasone acetate
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
DBSALT001422
Structure
Thumb
Synonyms
Not Available
UNII
TI05AO53L7
CAS Number
987-24-6
Weight
Average: 434.504
Monoisotopic: 434.210466881
Chemical Formula
C24H31FO6
InChI Key
AKUJBENLRBOFTD-QZIXMDIESA-N
InChI
InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1
IUPAC Name
2-[(1R,2S,10S,11S,13S,14R,15S,17S)-1-fluoro-14,17-dihydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl]-2-oxoethyl acetate
SMILES
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
External Links
ChemSpider
392014
ChEBI
31275
ChEMBL
CHEMBL1200538
ZINC
ZINC000004212130
Wikipedia
Betamethasone_acetate
Predicted Properties
PropertyValueSource
Water Solubility0.0164 mg/mLALOGPS
logP2.6ALOGPS
logP2.12ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)12.44ChemAxon
pKa (Strongest Basic)-3.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area100.9 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity111.64 m3·mol-1ChemAxon
Polarizability44.87 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon