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vilanterol

PropertiesImage
MNX_IDMNXM162120 Image of MNXM162120
referencechebi:75037
formulaC24H33Cl2NO5
global charge0
mol weight486.436
InChIKeyDAFYYTQWSAWIGS-DEOSSOPVSA-N
InChIInChI=1S/C24H33Cl2NO5/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28/h5-9,14,24,27-30H,1-4,10-13,15-17H2/t24-/m0/s1
SMILESOCC1=C(O)C=CC([C@@H](O)CNCCCCCCOCCOCC2=C(Cl)C=CC=C2Cl)=C1
MNX internals
InChI (mnx)InChI=1/C24H33Cl2NO5/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28/h5-9,14,24,27-30H,1-4,10-13,15-17H2/t24-/m0/s1 Image of MNXM162120
SMILES (mnx)[CH2:1]([CH2:2][CH2:4][CH2:11][O:31][CH2:12][CH2:13][O:32][CH2:17][C:20]1=[C:21]([Cl:25])[CH:6]=[CH:5][CH:7]=[C:22]1[Cl:26])[CH2:3][CH2:10][NH:27][CH2:15][C@@H:24]([C:18]1=[CH:14][C:19]([CH2:16][OH:28])=[C:23]([OH:29])[CH:9]=[CH:8]1)[OH:30]
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:75037
chebi:75037
DAFYYTQWSAWIGS-DEOSSOPVSA-N 		vilanterol
4-{(1R)-2-[(6-{2-[(2,6-dichlorobenzyl)oxy]ethoxy}hexyl)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol
GW-642444x
GW642444x
vilanterolum

kegg.drug:D09696
keggD:D09696
DAFYYTQWSAWIGS-DEOSSOPVSA-N 		Vilanterol (USAN/INN)
hmdb:HMDB0259805
DAFYYTQWSAWIGS-UHFFFAOYSA-N 		Vilanterol
4-{2-[(6-{2-[(2,6-dichlorophenyl)methoxy]ethoxy}hexyl)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol

CHEBI:75039
chebi:75039
DAFYYTQWSAWIGS-DEOSSOPVSA-O 		vilanterol(1+)
6-{2-[(2,6-dichlorobenzyl)oxy]ethoxy}-N-{(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}hexan-1-aminium
vilanterol cation

keggD:M_D09696 		secondary/obsolete/fantasy identifier