Dataset

N-Desmethylclozapine

This MassBank record with Accession MSBNK-Waters-WA000914 contains the MS mass spectrum of N-Desmethylclozapine with the InChIkey JNNOSTQEZICQQP-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
SMILES	Clc(c4)cc(N=1)c(c4)Nc(c3)c(ccc3)C1N(C2)CCNC2
InChI Key	JNNOSTQEZICQQP-UHFFFAOYSA-N
Molecular Formula	C17H17ClN4
Exact Mass	312.114 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000914
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:39:32.804159
MetadataModified	2025-02-09T20:21:53.338301
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HY-G0021	MedChemExpress
DTXSID0042616	EPA CompTox Dashboard
LSM-2206	LINCS
50122054	BindingDB
J446.142H	Nikkaji
135409468	PubChem
CB8196019	ChemicalBook
CHEMBL845	ChEMBL
80133	Brenda
ZINC000003995781	ZINC
HMDB0060536	Human Metabolome Database
MTBLC64050	Metabolights
1I9001LWY8	FDA SRS
SCHEMBL781423	SureChEMBL
PD021872	ProbesDrugs
DB05766	DrugBank
64050	ChEBI
6104-71-8	ACToR
14776686	PubChem: Thomson Pharma
537374	eMolecules
The data in this table is sourced from UniChem at EBI.