Molecular Identity
beclomethasone
(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
PubChem CID: 20469
Beclomethasone is a 17alpha-hydroxy steroid that is prednisolone in which the hydrogens at the 9alpha and 16beta positions are substituted by a chlorine and a methyl group, respectively. It has a role as an anti-inflammatory drug and an anti-asthmatic drug. It is a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone, a glucocorticoid, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a corticosteroid, a 3-oxo-Delta(1),Delta(4)-steroid and a chlorinated steroid. It is functionally related to a prednisolone. It derives from a hydride of a pregnane.
2D Structure
Properties
C22H29ClO5
Molecular Formula
408.90
Molecular Weight
g/mol
408.1704
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
94.8
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
805
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
beclomethasoneBeclometasone4419-39-0BeclometasonaBeclometasonum9-Chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dioneBeclometasonKGZ1SLC28ZBMJ 5800(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-oneDTXSID5040750CHEBI:3001DTXCID3020750(11beta,16beta)-9-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dioneAscocortonyl
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to beclomethasone
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