Dataset

Chlorproethazine

This MassBank record with Accession MSBNK-Waters-WA001720 contains the MS mass spectrum of Chlorproethazine with the InChIkey DBOUGBAQLIXZLV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H23ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3
SMILES CCN(CC)CCCN(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1
InChI Key DBOUGBAQLIXZLV-UHFFFAOYSA-N
Molecular Formula C19H23ClN2S
Exact Mass 346.127 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001720
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:37:57.483913
MetadataModified 2025-02-09T20:25:22.252676
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL52125 ChEMBL
CHLORPROETHAZINE HYDROCHLORIDE rxnorm
DTXSID80232882 EPA CompTox Dashboard
135464 ChEBI
619 DrugCentral
CHLORPROETHAZINE rxnorm
J4.889E Nikkaji
HMDB0250133 Human Metabolome Database
86724 BindingDB
ZINC000000001135 ZINC
DB13382 DrugBank
7487927 eMolecules
65750 PubChem
PD072659 ProbesDrugs
14952630 PubChem: Thomson Pharma
84-01-5 ACToR
960NX27Z07 FDA SRS
SCHEMBL149201 SureChEMBL
The data in this table is sourced from UniChem at EBI.