Mometasone furoate monohydrateProduct ingredient for Mometasone furoate

Name
Mometasone furoate monohydrate
Drug Entry
Mometasone furoate

Mometasone furoate is a corticosteroid drug that can be used for the treatment of asthma, rhinitis, and certain skin conditionsLabel10,11. It has a glucocorticoid receptor binding affinity 22 times stronger than dexamethasone and higher than many other corticosteroids as well2. Mometasone furoate is formulated as a dry powder inhaler, nasal spray, and ointment for its different indicationsLabel10,11.

Accession Number
DBSALT001244
Structure
Thumb
Synonyms
Not Available
UNII
MTW0WEG809
CAS Number
141646-00-6
Weight
Average: 539.45
Monoisotopic: 538.1525088
Chemical Formula
C27H32Cl2O7
InChI Key
AQCCVUHZMIMSIB-HRVPQZBTSA-N
InChI
InChI=1S/C27H30Cl2O6.H2O/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20;/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3;1H2/t15-,18+,19+,21+,24+,25+,26+,27+;/m1./s1
IUPAC Name
(1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-chloro-1-(2-chloroacetyl)-10-hydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl furan-2-carboxylate hydrate
SMILES
O.[H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
External Links
ChemSpider
8069123
Predicted Properties
PropertyValueSource
Water Solubility0.0108 mg/mLALOGPS
logP4.27ALOGPS
logP5.06ChemAxon
logS-4.7ALOGPS
pKa (Strongest Acidic)13.84ChemAxon
pKa (Strongest Basic)-3.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area93.81 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity132.5 m3·mol-1ChemAxon
Polarizability52.2 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon