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Clozapine N-oxide

PropertiesImage
MNX_IDMNXM154885 Image of MNXM154885
referencechebi:169893
formulaC18H19ClN4O
global charge0
mol weight342.83
InChIKeyOGUCZBIQSYYWEF-UHFFFAOYSA-N
InChIInChI=1S/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
SMILESC[N+]1([O-])CCN(C2=NC3=C(C=CC(Cl)=C3)NC3=C2C=CC=C3)CC1
MNX internals
InChI (mnx)InChI=1/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 Image of MNXM154885
SMILES (mnx)[CH3:1][N+:23]1([O-:24])[CH2:10][CH2:8][N:22]([C:18]2=[N:21][C:17]3=[CH:12][C:13]([Cl:19])=[CH:6][CH:7]=[C:16]3[NH:20][C:15]3=[CH:5][CH:3]=[CH:2][CH:4]=[C:14]32)[CH2:9][CH2:11]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:169893
chebi:169893
OGUCZBIQSYYWEF-UHFFFAOYSA-N
Clozapine N-oxide
3-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-11H-benzo[b][1,4]benzodiazepine
hmdb:HMDB0060900
OGUCZBIQSYYWEF-UHFFFAOYSA-N
Clozapine N-oxide
4-{6-chloro-2,9-diazatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl}-1-methylpiperazin-1-ium-1-olate
Clozapine-N-oxide

hmdb:HMDB60900
secondary/obsolete/fantasy identifier