Dataset

Propericiazine (oxide)

This MassBank record with Accession MSBNK-Waters-WA002182 contains the MS mass spectrum of Propericiazine (oxide) with the InChIkey LUALIOATIOESLM-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
SMILES	N#Cc(c4)cc(c(c4)1)N(CCCN(C3)CCC(O)C3)c(c2)c(ccc2)S1
InChI Key	LUALIOATIOESLM-UHFFFAOYSA-N
Molecular Formula	C21H23N3OS
Exact Mass	365.156 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-WA002182
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:50:42.228550
MetadataModified	2024-01-11T22:50:42.410348
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J3.392H	Nikkaji
4747	PubChem
PD009450	ProbesDrugs
3405M6FD73	FDA SRS
14803709	PubChem: Thomson Pharma
LSM-24971	LINCS
2622-26-6	ACToR
SCHEMBL148422	SureChEMBL
50346422	BindingDB
PERICIAZINE	rxnorm
HY-14263	MedChemExpress
ZINC000000538159	ZINC
DTXSID5045910	EPA CompTox Dashboard
9216	Guide to Pharmacology
2107	DrugCentral
PERICIAZINE	clinicaltrials
HMDB0015546	Human Metabolome Database
50193	Brenda
PA164781043	PharmGKB
CB3162774	ChemicalBook
DB01608	DrugBank
CHEMBL251940	ChEMBL
31981	ChEBI
36759202	eMolecules
The data in this table is sourced from UniChem at EBI.