Dataset

Chlorproethazine; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA001721 contains the MS mass spectrum of Chlorproethazine with the InChIkey DBOUGBAQLIXZLV-UHFFFAOYSA-N.

Chemical Information

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-WA001721
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 3-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine
    • 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.