Dataset

Acepromazine (oxide)

This MassBank record with Accession MSBNK-Waters-WA002134 contains the MS mass spectrum of Acepromazine (oxide) with the InChIkey NOSIYYJFMPDDSA-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3
SMILES	CN(C)CCCN(c21)c(c3)c(ccc(C(C)=O)3)Sc(cccc2)1
InChI Key	NOSIYYJFMPDDSA-UHFFFAOYSA-N
Molecular Formula	C19H22N2OS
Exact Mass	326.145 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-WA002134
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:34:05.934034
MetadataModified	2025-02-09T20:25:31.852002
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL39560	ChEMBL
DB01614	DrugBank
PMZ	PDBe
ACEPROMAZINE	rxnorm
ACEPROMAZINE MALEATE	clinicaltrials
ACEPROMAZINE	clinicaltrials
CB8920937	ChemicalBook
DTXSID1022552	EPA CompTox Dashboard
73	DrugCentral
ZINC000000057198	ZINC
J4.812G	Nikkaji
50131719	BindingDB
ACEPROMAZINE MALEATE	rxnorm
15396826	PubChem: Thomson Pharma
PD009645	ProbesDrugs
54EJ303F0R	FDA SRS
PA164783999	PharmGKB
61-00-7	ACToR
SCHEMBL73018	SureChEMBL
LSM-4609	LINCS
35867465	eMolecules
HMDB0015552	Human Metabolome Database
44932	ChEBI
6077	PubChem
The data in this table is sourced from UniChem at EBI.