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Fasiglifam

PropertiesImage
MNX_IDMNXM155944 Image of MNXM155944
referencechebi:177451
formulaC29H32O7S
global charge0
mol weight524.635
InChIKeyBZCALJIHZVNMGJ-HSZRJFAPSA-N
InChIInChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
SMILESCC1=CC(OCCCS(C)(=O)=O)=CC(C)=C1C1=CC(COC2=CC3=C(C=C2)[C@H](CC(=O)O)CO3)=CC=C1
MNX internals
InChI (mnx)InChI=1/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1 Image of MNXM155944
SMILES (mnx)[CH3:1][C:19]1=[CH:12][C:25]([O:34][CH2:10][CH2:5][CH2:11][S:37]([CH3:3])(=[O:32])=[O:33])=[CH:13][C:20]([CH3:2])=[C:29]1[C:22]1=[CH:7][CH:4]=[CH:6][C:21]([CH2:17][O:35][C:24]2=[CH:16][C:27]3=[C:26]([CH:9]=[CH:8]2)[C@H:23]([CH2:15][C:28](=[O:30])[OH:31])[CH2:18][O:36]3)=[CH:14]1
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:177451
chebi:177451
BZCALJIHZVNMGJ-HSZRJFAPSA-N 		Fasiglifam
2-[(3S)-6-[[3-[2,6-dimethyl-4-(3-methylsulonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzouran-3-yl]acetic acid

kegg.drug:D10336
keggD:D10336
BZCALJIHZVNMGJ-HSZRJFAPSA-N 		Fasiglifam (USAN/INN)

keggD:M_D10336 		secondary/obsolete/fantasy identifier