CHEBI:47564 - mometasone furoate

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ChEBI Name mometasone furoate
ChEBI ID CHEBI:47564
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:6971
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Formula C27H30Cl2O6
Net Charge 0
Average Mass 521.42890
Monoisotopic Mass 520.142
InChI InChI=1S/C27H30Cl2O6/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/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1
InChIKey WOFMFGQZHJDGCX-ZULDAHANSA-N
SMILES [H][C@@]12C[C@@H](C)[C@](OC(=O)c3ccco3)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Roles Classification
Application(s): anti-inflammatory drug
A substance that reduces or suppresses inflammation.
anti-allergic agent
A drug used to treat allergic reactions.
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ChEBI Ontology
Outgoing mometasone furoate (CHEBI:47564) has functional parent mometasone (CHEBI:6970)
mometasone furoate (CHEBI:47564) has role anti-allergic agent (CHEBI:50857)
mometasone furoate (CHEBI:47564) has role anti-inflammatory drug (CHEBI:35472)
mometasone furoate (CHEBI:47564) is a 11β-hydroxy steroid (CHEBI:35346)
mometasone furoate (CHEBI:47564) is a 2-furoate ester (CHEBI:50856)
mometasone furoate (CHEBI:47564) is a 20-oxo steroid (CHEBI:36885)
mometasone furoate (CHEBI:47564) is a 3-oxo-Δ14-steroid (CHEBI:77166)
mometasone furoate (CHEBI:47564) is a organochlorine compound (CHEBI:36683)
mometasone furoate (CHEBI:47564) is a steroid ester (CHEBI:47880)
IUPAC Name
9,21-dichloro-11β-hydroxy-16α-methyl-3,20-dioxopregna-1,4-dien-17-yl furan-2-carboxylate
Synonyms Sources
mometasone 17-furoate ChEBI
MOMETASONE FUROATE PDBeChem
Manual Xrefs Databases
1832 DrugCentral
D00690 KEGG DRUG
DB00764 DrugBank
EP57401 Patent
MOF PDBeChem
Mometasone Wikipedia
US4472393 Patent
View more database links
Registry Numbers Types Sources
4340538 Beilstein Registry Number Beilstein
83919-23-7 CAS Registry Number ChemIDplus
Last Modified
22 February 2017