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beclomethasone

PropertiesImage
MNX_IDMNXM43384 Image of MNXM43384
referencechebi:3001
formulaC22H29ClO5
global charge0
mol weight408.922
InChIKeyNBMKJKDGKREAPL-DVTGEIKXSA-N
InChIInChI=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
SMILESC[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
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM43384
SMILES (mnx)[CH3:1][C@H:12]1[CH2:8][C@H:16]2[C@@H:15]3[CH2:5][CH2:4][C:13]4=[CH:9][C:14](=[O:25])[CH:6]=[CH:7][C@:19]4([CH3:2])[C@@:21]3([Cl:23])[C@@H:17]([OH:26])[CH2:10][C@:20]2([CH3:3])[C@:22]1([C:18]([CH2:11][OH:24])=[O:27])[OH:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:3001
chebi:3001
NBMKJKDGKREAPL-DVTGEIKXSA-N 		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
NBMKJKDGKREAPL-WOOYFSPWSA-N 		(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
NBMKJKDGKREAPL-DVTGEIKXSA-N 		Beclometasone (INN)
Beclometason (TN)

seed.compound:cpd04202
seedM:cpd04202
kegg.compound:C06842
keggC:C06842
NBMKJKDGKREAPL-DVTGEIKXSA-N 		Beclomethasone
hmdb:HMDB0248924
NBMKJKDGKREAPL-UHFFFAOYSA-N 		beclomethasone
1-chloro-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one

keggC:M_C06842
keggD:M_D07495
seedM:M_cpd04202 		secondary/obsolete/fantasy identifier