Mometasone
(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
Molecular Identity
Mometasone
(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
PubChem CID: 441335
Mometasone is a tertiary alpha-hydroxy ketone, a 17alpha-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a 3-oxo-Delta(1),Delta(4)-steroid and a chlorinated steroid. It has a role as an anti-inflammatory drug, a dermatologic drug, a vasoconstrictor agent and an anti-allergic agent. It is functionally related to a Delta(1)-progesterone.
2D Structure
Properties
C22H28Cl2O4
Molecular Formula
427.40
Molecular Weight
g/mol
426.1365
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
74.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
806
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Mometasone105102-22-5(+)-MometasoneMometasonaMometasonum(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-one8HR4QJ6DW8CHEBI:69709,21-dichloro-11beta,17-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dioneDTXSID10872412LAS-41002Pregna-1,4-diene-3,20-dione, 9,21-dichloro-11,17-dihydroxy-16-methyl-, (11beta,16alpha)-(1R,2S,10S,11S,13R,14R,15S,17S)-1-chloro-14-(2-chloroacetyl)-14,17-dihydroxy-2,13,15-trimethyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadeca-3,6-dien-5-one(1R,2S,10S,11S,13R,14R,15S,17S)-1-chloro-14-(2-chloroacetyl)-14,17-dihydroxy-2,13,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one(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
Data from PubChem (NCBI)
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