Alclometasone dipropionateProduct ingredient for Alclometasone
- Name
- Alclometasone dipropionate
- Drug Entry
- Alclometasone
Alclometasone is synthetic glucocorticoid steroid for topical use in dermatology as anti-inflammatory, antipruritic, antiallergic, antiproliferative and vasoconstrictive agent.
- Accession Number
- DBSALT000893
- Structure
- Synonyms
- 7alpha-chloro-11beta,17,21-trihydroxy-16.alpha.-methylpregna-1,4-diene-3,20-dione 17,21-dipropionate / Alclometasone 17,21-dipropionate / Alclometasone dipropionate
- External IDs
- Sch 22219
- UNII
- S56PQL4N1V
- CAS Number
- 66734-13-2
- Weight
- Average: 521.05
Monoisotopic: 520.2227812 - Chemical Formula
- C28H37ClO7
- InChI Key
- DJHCCTTVDRAMEH-DUUJBDRPSA-N
- InChI
- InChI=1S/C28H37ClO7/c1-6-22(33)35-14-21(32)28(36-23(34)7-2)15(3)10-18-24-19(29)12-16-11-17(30)8-9-26(16,4)25(24)20(31)13-27(18,28)5/h8-9,11,15,18-20,24-25,31H,6-7,10,12-14H2,1-5H3/t15-,18+,19-,20+,24-,25+,26+,27+,28+/m1/s1
- IUPAC Name
- 2-[(1R,2R,3aS,3bS,4R,9aR,9bS,10S,11aS)-4-chloro-10-hydroxy-2,9a,11a-trimethyl-7-oxo-1-(propanoyloxy)-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl propanoate
- SMILES
- [H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C
- External Links
- KEGG Drug
- D01820
- PubChem Compound
- 636374
- ChemSpider
- 552169
- ChEBI
- 31184
- ChEMBL
- CHEMBL1200989
- ZINC
- ZINC000004172330
- PharmGKB
- PA164747650
- Wikipedia
- Alclometasone_dipropionate
- Predicted Properties
Property Value Source Water Solubility 0.00281 mg/mL ALOGPS logP 3.28 ALOGPS logP 3.97 Chemaxon logS -5.3 ALOGPS pKa (Strongest Acidic) 14.8 Chemaxon pKa (Strongest Basic) -2.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 106.97 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 135.17 m3·mol-1 Chemaxon Polarizability 54.91 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon