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beclomethasone

Properties

Image

Occurences in reactions

MNX_ID

MNXM43384

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₂H₂₉ClO₅

charge

mass

408.17035

reference

chebi:3001

InChIKey

NBMKJKDGKREAPL-DVTGEIKXSA-N

InChI

InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1

SMILES

C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3001 chebi:3001	beclomethasone (11beta,16beta)-9-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione 9-chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 9alpha-chloro-16beta-methylprednisolone Beclomethasone beclometasona beclometasone beclometasonum
CHEBI:94337 chebi:94337	(9R)-9-chloro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
kegg.drug:D07495 keggD:D07495	Beclometasone (INN) Beclometason (TN)
seed.compound:cpd04202 seedM:cpd04202 kegg.compound:C06842 keggC:C06842	Beclomethasone
keggC:M_C06842 keggD:M_D07495 seedM:M_cpd04202	secondary/obsolete/fantasy identifier