MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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clozapine

	Properties	Image
MNX_ID	MNXM47337
reference	chebi:3766
formula	C₁₈H₁₉ClN₄
global charge	0
mol weight	326.831
InChIKey	QZUDBNBUXVUHMW-UHFFFAOYSA-N
InChI	InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)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
SMILES	CN1CCN(C2=NC3=CC(Cl)=CC=C3NC3=CC=CC=C32)CC1

MNX internals

InChI (mnx)	InChI=1/C18H19ClN4/c1-22-8-10-23(11-9-22)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
SMILES (mnx)	[CH3:1][N:22]1[CH2:8][CH2:10][N:23]([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)[CH2:11][CH2:9]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-9654089 reactomeM:R-ALL-9654089 CHEBI:3766 chebi:3766 QZUDBNBUXVUHMW-UHFFFAOYSA-N	clozapine 8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine Clozapin Clozapine clozapina clozapinum
seed.compound:cpd04265 seedM:cpd04265 sabiork.compound:9047 sabiorkM:9047 kegg.compound:C06924 keggC:C06924 QZUDBNBUXVUHMW-UHFFFAOYSA-N QZUDBNBUXVUHMW-UHFFFAOYSA-O	Clozapine
kegg.drug:D00283 keggD:D00283 QZUDBNBUXVUHMW-UHFFFAOYSA-N	Clozapine (JAN/USP/INN) Clozaril (TN)
hmdb:HMDB0014507 QZUDBNBUXVUHMW-UHFFFAOYSA-N	Clozapine 6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,9,11,13-heptaene Clozapin Clozapina Clozapinum Clozaril Leponex clozapine
hmdb:HMDB14507 keggC:M_C06924 keggD:M_D00283 seedM:M_cpd04265	secondary/obsolete/fantasy identifier