mometasone   Click here for help

GtoPdb Ligand ID: 9029

Synonyms: Elocon® (topical) | Nasonex®
Approved drug Immunopharmacology Ligand
mometasone is an approved drug (1987 (FDA))
Compound class: Synthetic organic
Comment: Mometasone is a corticosteroid anti-inflammatory drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 74.6
Molecular weight 426.14
XLogP 2.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES ClCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl
Isomeric SMILES ClCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl
InChI InChI=1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
InChI Key QLIIKPVHVRXHRI-CXSFZGCWSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (1987 (FDA))
IUPAC Name Click here for help
(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
International Nonproprietary Names Click here for help
INN number INN
6030 mometasone
Synonyms Click here for help
Elocon® (topical) | Nasonex®
Database Links Click here for help
ChEMBL Ligand CHEMBL1201404
DrugBank Ligand DB00764
GtoPdb PubChem SID 315661114
PubChem CID 441335
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