Dataset

Chlorproethazine

This MassBank record with Accession MSBNK-Waters-WA001719 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-WA001719
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:46:09.508104
MetadataModified 2024-01-11T22:46:09.679307
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
65750 PubChem
PD072659 ProbesDrugs
14952630 PubChem: Thomson Pharma
84-01-5 ACToR
960NX27Z07 FDA SRS
J4.889E Nikkaji
SCHEMBL149201 SureChEMBL
HMDB0250133 Human Metabolome Database
DB13382 DrugBank
86724 BindingDB
CHLORPROETHAZINE HYDROCHLORIDE rxnorm
CHLORPROETHAZINE rxnorm
ZINC000000001135 ZINC
619 DrugCentral
135464 ChEBI
DTXSID80232882 EPA CompTox Dashboard
7487927 eMolecules
CHEMBL52125 ChEMBL
The data in this table is sourced from UniChem at EBI.