Dataset

Clozapine

This MassBank record with Accession MSBNK-Waters-WA001134 contains the MS mass spectrum of Clozapine with the 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	CN(C4)CCN(C4)C(=N1)c(c3)c(ccc3)Nc(c2)c(cc(Cl)c2)1
InChI Key	QZUDBNBUXVUHMW-UHFFFAOYSA-N
Molecular Formula	C18H19ClN4
Exact Mass	326.130 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001134
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:49:07.512546
MetadataModified	2025-02-09T20:21:42.075665
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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