Betamethasone dipropionateProduct ingredient for Betamethasone

Name
Betamethasone dipropionate
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
DBSALT000851
Structure
Thumb
Synonyms
Not Available
UNII
826Y60901U
CAS Number
5593-20-4
Weight
Average: 504.595
Monoisotopic: 504.252331694
Chemical Formula
C28H37FO7
InChI Key
CIWBQSYVNNPZIQ-XYWKZLDCSA-N
InChI
InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1
IUPAC Name
2-[(1R,2S,10S,11S,13S,14R,15S,17S)-1-fluoro-17-hydroxy-2,13,15-trimethyl-5-oxo-14-(propanoyloxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl]-2-oxoethyl propanoate
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)CC)C(=O)COC(=O)CC
External Links
PubChem Compound
45356876
ChemSpider
20490
BindingDB
50421892
ChEBI
31276
ChEMBL
CHEMBL1200384
ZINC
ZINC000004212137
Wikipedia
Betamethasone_dipropionate
Predicted Properties
PropertyValueSource
Water Solubility0.00462 mg/mLALOGPS
logP3.38ALOGPS
logP3.96ChemAxon
logS-5ALOGPS
pKa (Strongest Acidic)13.64ChemAxon
pKa (Strongest Basic)-3.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area106.97 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity130.05 m3·mol-1ChemAxon
Polarizability53.16 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon