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
50346422	BindingDB
J3.392H	Nikkaji
2107	DrugCentral
9216	Guide to Pharmacology
DTXSID5045910	EPA CompTox Dashboard
ZINC000000538159	ZINC
PERICIAZINE	clinicaltrials
HY-14263	MedChemExpress
PERICIAZINE	rxnorm
DB01608	DrugBank
CHEMBL251940	ChEMBL
31981	ChEBI
36759202	eMolecules
CB3162774	ChemicalBook
HMDB0015546	Human Metabolome Database
PA164781043	PharmGKB
50193	Brenda
MolPort-003-981-163	MolPort
4747	PubChem
PD009450	ProbesDrugs
3405M6FD73	FDA SRS
14803709	PubChem: Thomson Pharma
LSM-24971	LINCS
2622-26-6	ACToR
SCHEMBL148422	SureChEMBL
The data in this table is sourced from UniChem at EBI.