Dataset

Clozapine

This MassBank record with Accession MSBNK-Waters-WA001137 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-WA001137
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:49:41.480755
MetadataModified	2024-01-11T22:49:41.637016
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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