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donetidine

PropertiesImage
MNX_IDMNXM51532 Image of MNXM51532
referencechebi:188848
formulaC20H25N5O3S
global charge0
mol weight415.519
InChIKeyMURUHMTVTKOWBY-UHFFFAOYSA-N
InChIInChI=1S/C20H25N5O3S/c1-25(2)12-16-3-4-17(28-16)13-29-8-7-22-20-23-11-15(19(27)24-20)9-14-5-6-21-18(26)10-14/h3-6,10-11H,7-9,12-13H2,1-2H3,(H,21,26)(H2,22,23,24,27)
SMILESCN(C)CC1=CC=C(CSCCNC2=NC=C(CC3=CC(=O)NC=C3)C(=O)N2)O1
MNX internals
InChI (mnx)InChI=1/C20H25N5O3S/c1-25(2)12-16-3-4-17(28-16)13-29-8-7-22-20-23-11-15(19(27)24-20)9-14-5-6-21-18(26)10-14/h3-6,10-11H,7-9,12-13H2,1-2H3,(H,21,26)(H2,22,23,24,27) Image of MNXM51532
SMILES (mnx)[CH3:1][N:25]([CH3:2])[CH2:12][C:16]1=[CH:3][CH:4]=[C:17]([CH2:13][S:29][CH2:8][CH2:7][N:22]=[C:20]2[NH:23][CH:11]=[C:15]([CH2:9][C:14]3=[CH:10][C:18]([OH:26])=[N:21][CH:6]=[CH:5]3)[C:19]([OH:27])=[N:24]2)[O:28]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:188848
chebi:188848
MURUHMTVTKOWBY-UHFFFAOYSA-N 		donetidine
2-[2-[[5-[(dimethylamino)methyl]uran-2-yl]methylsulanyl]ethylamino]-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one

kegg.drug:D03889
keggD:D03889
MURUHMTVTKOWBY-UHFFFAOYSA-N 		Donetidine (USAN)

keggD:M_D03889 		secondary/obsolete/fantasy identifier