Dataset

Clozapine

This MassBank record with Accession MSBNK-Athens_Univ-AU160004 contains the MS2 mass spectrum of Clozapine with the InChIkey QZUDBNBUXVUHMW-UHFFFAOYSA-N.

Chemical Info

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(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42
InChI Key	QZUDBNBUXVUHMW-UHFFFAOYSA-N
Molecular Formula	C18H19ClN4
Exact Mass	326.130 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU160004
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:43:54.491459
MetadataModified	2024-01-11T09:43:54.644912
MetadataPublished	2015-12-07

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
PD001633	ProbesDrugs
clozapine	Atlas
J60AR2IKIC	FDA SRS
14826474	PubChem: Thomson Pharma
Clozapine(Clozaril)	Selleck
5786-21-0	ACToR
20061832	NMRShiftDB
NDNHCL	CCDC
J8.061F	Nikkaji
SCHEMBL8397	SureChEMBL
DTXSID5022855	EPA CompTox Dashboard
722	DrugCentral
ZINC000019796155	ZINC
50001884	BindingDB
CLOZAPINE	DailyMed
CLOZAPINE	rxnorm
VERSACLOZ	rxnorm
CLOZARIL	rxnorm
FAZACLO	rxnorm
FAZACLO	clinicaltrials
LEPONEX	clinicaltrials
CLOZAPINE	clinicaltrials
CLOZARIL	clinicaltrials
HY-14539	MedChemExpress
LSM-2823	LINCS
135398737	PubChem
clozapine	DailyMed
CB7776111	ChemicalBook
HMDB0014507	Human Metabolome Database
38	Guide to Pharmacology
4685	Brenda
DB00363	DrugBank
12013419	PubChem: Drugs of the Future
CHEMBL42	ChEMBL
SAM002548976	NIH Clinical Collection
3766	ChEBI
C06924	KEGG Ligand
536309	eMolecules
The data in this table is sourced from UniChem at EBI.