Mometasone furoate monohydrateProduct ingredient for Mometasone furoate

Show full entry 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 conditionsLabel14,15. 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 indicationsLabel14,15.

See full entry for Mometasone furoate
Accession Number
DBSALT001244
Structure
Similar Structures
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
ChemSpider
8069123
Wikipedia
Mometasone
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