Clocortolone pivalateProduct ingredient for Clocortolone
- Name
- Clocortolone pivalate
- Drug Entry
- Clocortolone
Clocortolone is a medium potency corticosteroid that is often used as a topical cream for the relief of inflammatory oand pruritic (itching) arising from steroid-responsive dermatoses of the scalp.
- Accession Number
- DBSALT001365
- Structure
Structure for Clocortolone pivalate (DBSALT001365)
- Synonyms
- 9-chloro-6α-fluoro-11β,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione 21-pivalate / Clocortolone 21-pivalate / Clocortolone trimethylacetate
- UNII
- QBL8IZH14X
- CAS Number
- 34097-16-0
- Weight
- Average: 495.03
Monoisotopic: 494.2235301 - Chemical Formula
- C27H36ClFO5
- InChI Key
- SXYZQZLHAIHKKY-GSTUPEFVSA-N
- InChI
- InChI=1S/C27H36ClFO5/c1-14-9-16-17-11-19(29)18-10-15(30)7-8-26(18,6)27(17,28)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3/t14-,16+,17+,19+,21+,22-,25+,26+,27+/m1/s1
- IUPAC Name
- 2-[(1R,2S,8S,10S,11S,13R,14S,15S,17S)-1-chloro-8-fluoro-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl]-2-oxoethyl 2,2-dimethylpropanoate
- SMILES
- [H][C@@]12C[C@@H](C)[C@H](C(=O)COC(=O)C(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
- External Links
- KEGG Drug
- D02287
- ChemSpider
- 4445634
- ChEBI
- 59583
- ChEMBL
- CHEMBL1200975
- ZINC
- ZINC000004212603
- PharmGKB
- PA164744013
- Wikipedia
- Clocortolone_pivalate
- Predicted Properties
Property Value Source Water Solubility 0.00103 mg/mL ALOGPS logP 4.17 ALOGPS logP 4.72 Chemaxon logS -5.7 ALOGPS pKa (Strongest Acidic) 13.81 Chemaxon pKa (Strongest Basic) -3.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 80.67 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 128.59 m3·mol-1 Chemaxon Polarizability 52.04 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon