Dataset

Chlorpromazin; LC-ESI-Q; MS; POS; 75 V, 90 V

This MassBank record with Accession MSBNK-Waters-WA001314 contains the MS mass spectrum of Chlorpromazin with the InChIkey ZPEIMTDSQAKGNT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
SMILES CN(C)CCCN(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1
InChI Key ZPEIMTDSQAKGNT-UHFFFAOYSA-N
Molecular Formula C17H19ClN2S
Exact Mass 318.096 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-WA001314
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD010004 ProbesDrugs
    chlorpromazine Atlas
    U42B7VYA4P FDA SRS
    LSM-4017 LINCS
    2726 PubChem
    50-53-3 ACToR
    34468-21-8 ACToR
    PA448964 PharmGKB
    14923746 PubChem: Thomson Pharma
    SCHEMBL8321 SureChEMBL
    730270 eMolecules
    MCULE-5976054678 Mcule
    145960 Brenda
    74854 Brenda
    113197 Brenda
    727 Brenda
    75626 Brenda
    HMDB0014620 Human Metabolome Database
    chlorpromazine DailyMed
    CB5547531 ChemicalBook
    162818 Brenda
    145046 Brenda
    DB00477 DrugBank
    12014508 PubChem: Drugs of the Future
    C06906 KEGG Ligand
    CHEMBL71 ChEMBL
    Z80 PDBe
    3647 ChEBI
    83 Guide to Pharmacology
    CHLORPROMAZINE HYDROCHLORIDE clinicaltrials
    DTXSID0022808 EPA CompTox Dashboard
    ZINC000000044027 ZINC
    J2.794D Nikkaji
    50001888 BindingDB
    CHLORPROMAZINE clinicaltrials
    THORAZINE clinicaltrials
    CHLORPROMAZINE rxnorm
    CHLORPROMAZINE HYDROCHLORIDE rxnorm
    229268 Brenda
    229267 Brenda
    CHLORPROMAZINE DailyMed
    621 DrugCentral
    CPROMZ CCDC
    6497 Brenda
    The data in this table is sourced from UniChem at EBI.