Flunisolide hemihydrateProduct ingredient for Flunisolide
- Name
- Flunisolide hemihydrate
- Drug Entry
- Flunisolide
Flunisolide (marketed as AeroBid, Nasalide, Nasarel) is a corticosteroid with anti-inflammatory actions. It is often prescribed as treatment for allergic rhinitis and its principle mechanism of action involves activation of glucocorticoid receptors.
- Accession Number
- DBSALT001845
- Structure
Structure for Flunisolide hemihydrate (DBSALT001845)
- Synonyms
- Flunisolide
- UNII
- QK4DYS664X
- CAS Number
- 77326-96-6
- Weight
- Average: 887.024
Monoisotopic: 886.431498447 - Chemical Formula
- C48H64F2O13
- InChI Key
- MIXMJCQRHVAJIO-TZHJZOAOSA-N
- InChI
- InChI=1S/2C24H31FO6.H2O/c2*1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26;/h2*5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3;1H2/t2*13-,14-,16-,17-,19+,20+,22-,23-,24+;/m00./s1
- IUPAC Name
- bis((1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-14,17-dien-16-one) hydrate
- SMILES
- O.CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO.CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO
- External Links
- ChemSpider
- 10128516
- Predicted Properties
Property Value Source Water Solubility 0.0374 mg/mL ALOGPS logP 2.2 ALOGPS logP 1.56 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 13.73 Chemaxon pKa (Strongest Basic) -2.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 93.06 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 111.89 m3·mol-1 Chemaxon Polarizability 44.73 Å3 Chemaxon Number of Rings 10 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon