Dataset

Metopimazine

This MassBank record with Accession MSBNK-Waters-WA001393 contains the MS mass spectrum of Metopimazine with the InChIkey BQDBKDMTIJBJLA-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)
SMILES	NC(=O)C(C4)CCN(C4)CCCN(c21)c(c3)c(ccc(S(C)(=O)=O)3)Sc(cccc2)1
InChI Key	BQDBKDMTIJBJLA-UHFFFAOYSA-N
Molecular Formula	C22H27N3O3S2
Exact Mass	445.149 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-WA001393
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:48:25.498396
MetadataModified	2024-01-11T22:48:25.681361
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
28295250	eMolecules
CHEMBL398615	ChEMBL
DTXSID80161224	EPA CompTox Dashboard
179867	BindingDB
ZINC000000537996	ZINC
82383	BindingDB
1784	DrugCentral
11140	Guide to Pharmacology
CB0934482	ChemicalBook
METOPIMAZINE	rxnorm
METOPIMAZINE	clinicaltrials
135726	ChEBI
DB13591	DrugBank
PD072488	ProbesDrugs
14783916	PubChem: Thomson Pharma
14008-44-7	ACToR
238S75V9AV	FDA SRS
SCHEMBL49905	SureChEMBL
26388	PubChem
HMDB0254680	Human Metabolome Database
J8.471I	Nikkaji
The data in this table is sourced from UniChem at EBI.