Search MNXref
 Feedback

3-Hydroxyomeprazole

PropertiesImage
MNX_IDMNXM117477 Image of MNXM117477
referencechebi:188115
formulaC17H19N3O4S
global charge0
mol weight361.423
InChIKeyIGVYIWUGJPECAJ-UHFFFAOYSA-N
InChIInChI=1S/C17H19N3O4S/c1-10-7-18-15(12(8-21)16(10)24-3)9-25(22)17-19-13-5-4-11(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)
SMILESCOC1=CC2=C(C=C1)N=C(S(=O)CC1=NC=C(C)C(OC)=C1CO)N2
MNX internals
InChI (mnx)InChI=1/C17H19N3O4S/c1-10-7-18-15(12(8-21)16(10)24-3)9-25(22)17-19-13-5-4-11(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)/t25? Image of MNXM117477
SMILES (mnx)[CH3:1][C:10]1=[CH:7][N:18]=[C:15]([CH2:9][S:25]([C:17]2=[N:19][C:13]3=[C:14]([CH:6]=[C:11]([O:23][CH3:2])[CH:4]=[CH:5]3)[NH:20]2)=[O:22])[C:12]([CH2:8][OH:21])=[C:16]1[O:24][CH3:3]
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:188115
chebi:188115
IGVYIWUGJPECAJ-UHFFFAOYSA-N 		3-Hydroxyomeprazole
[4-methoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulinylmethyl]-5-methylpyridin-3-yl]methanol
hmdb:HMDB0014013
IGVYIWUGJPECAJ-UHFFFAOYSA-N 		3-Hydroxyomeprazole
(4-Methoxy-2-{[(6-methoxy-1H-1,3-benzodiazol-2-yl)sulphinyl]methyl}-5-methylpyridin-3-yl)methanol
(4-methoxy-2-{[(6-methoxy-1H-1,3-benzodiazol-2-yl)sulfinyl]methyl}-5-methylpyridin-3-yl)methanol
{4-methoxy-2-[(5-methoxy-3H-1,3-benzodiazol-2-ylsulfinyl)methyl]-5-methylpyridin-3-yl}methanol

envipath:...81fbad9ef13e
envipathM:...81fbad9ef13e
IGVYIWUGJPECAJ-UHFFFAOYSA-N 		compound 0054986

hmdb:HMDB14013 		secondary/obsolete/fantasy identifier