Dataset

Olanzapine

This MassBank record with Accession MSBNK-Waters-WA002212 contains the MS mass spectrum of Olanzapine with the InChIkey KVWDHTXUZHCGIO-UHFFFAOYSA-N.

InChI	InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
SMILES	CN(C4)CCN(C4)C(=N1)c(c3)c(sc(C)3)Nc(c2)c(ccc2)1
InChI Key	KVWDHTXUZHCGIO-UHFFFAOYSA-N
Molecular Formula	C17H20N4S
Exact Mass	312.141 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-WA002212
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:35:39.772345
MetadataModified	2025-02-09T20:26:32.769602
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
PD000646	ProbesDrugs
N7U69T4SZR	FDA SRS
olanzapine	Atlas
DB00334	DrugBank
14923451	PubChem: Thomson Pharma
SCHEMBL28763	SureChEMBL
Olanzapine(Zyprexa)	Selleck
132539-06-1	ACToR
902226	eMolecules
10021706	NMRShiftDB
HMDB0005012	Human Metabolome Database
7606	Brenda
CB52743465	ChemicalBook
olanzapine	DailyMed
ZINC000052957434	ZINC
CB6755515	ChemicalBook
C07322	KEGG Ligand
12014657	PubChem: Drugs of the Future
CHEMBL715	ChEMBL
7735	ChEBI
SAM001246652	NIH Clinical Collection
CB04188690	ChemicalBook
35254	BindingDB
CB64188692	ChemicalBook
OLANZAPINE	DailyMed
OLANZAPINE	rxnorm
OLANZAPINE PAMOATE	rxnorm
OLANZAPINE PAMOATE MONOHYDRATE	rxnorm
ZYPREXA	rxnorm
OLANSEK	clinicaltrials
LY170053	clinicaltrials
OLANZAPINE	clinicaltrials
OLANZAPINE MYLAN	clinicaltrials
OLANZAPINE PAMOATE	clinicaltrials
LY-170053	clinicaltrials
ZYPREXA	clinicaltrials
HY-14541	MedChemExpress
DTXSID9023388	EPA CompTox Dashboard
LSM-5359	LINCS
1982	DrugCentral
J489.991A	Nikkaji
UNOGIN	CCDC
CB34188691	ChemicalBook
135398745	PubChem
The data in this table is sourced from UniChem at EBI.