Betamethasone valerateProduct ingredient for Betamethasone

Name
Betamethasone valerate
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
DBSALT000849
Structure
Thumb
Synonyms
Not Available
UNII
9IFA5XM7R2
CAS Number
2152-44-5
Weight
Average: 476.585
Monoisotopic: 476.257417074
Chemical Formula
C27H37FO6
InChI Key
SNHRLVCMMWUAJD-SUYDQAKGSA-N
InChI
InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/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[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl pentanoate
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)CCCC)C(=O)CO
External Links
PubChem Compound
16533
ChemSpider
15673
ChEBI
31277
ChEMBL
CHEMBL1497
ZINC
ZINC000003882052
Wikipedia
Betamethasone_valerate
Predicted Properties
PropertyValueSource
Water Solubility0.00669 mg/mLALOGPS
logP3.76ALOGPS
logP3.71ChemAxon
logS-4.8ALOGPS
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 Count7ChemAxon
Refractivity125.47 m3·mol-1ChemAxon
Polarizability51.22 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon