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
Thumb
Synonyms
7alpha-chloro-11beta,17,21-trihydroxy-16.alpha.-methylpregna-1,4-diene-3,20-dione 17,21-dipropionate / Alclometasone 17,21-dipropionate
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-[(1S,2R,9R,10S,11S,13R,14R,15S,17S)-9-chloro-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@@]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
PharmGKB
PA164747650
Wikipedia
Alclometasone_dipropionate
Predicted Properties
PropertyValueSource
Water Solubility0.00281 mg/mLALOGPS
logP3.28ALOGPS
logP3.97ChemAxon
logS-5.3ALOGPS
pKa (Strongest Acidic)14.8ChemAxon
pKa (Strongest Basic)-2.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area106.97 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity135.17 m3·mol-1ChemAxon
Polarizability54.93 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon