Dataset

Thioridazine (oxide); LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA000639 contains the MS mass spectrum of Thioridazine (oxide) with the InChIkey KLBQZWRITKRQQV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
SMILES CSc(c4)cc(c(c4)1)N(CCC(C3)N(C)CCC3)c(c2)c(ccc2)S1
InChI Key KLBQZWRITKRQQV-UHFFFAOYSA-N
Molecular Formula C21H26N2S2
Exact Mass 370.154 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-WA000639
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5452 PubChem
    PD009853 ProbesDrugs
    thioridazine Atlas
    LSM-1863 LINCS
    14804036 PubChem: Thomson Pharma
    SCHEMBL9566 SureChEMBL
    PA451666 PharmGKB
    50-52-2 ACToR
    6096 Brenda
    thioridazine DailyMed
    CB6763367 ChemicalBook
    HMDB0014817 Human Metabolome Database
    MCULE-7796139302 Mcule
    CHEMBL479 ChEMBL
    9566 ChEBI
    DB00679 DrugBank
    12013415 PubChem: Drugs of the Future
    THIORIDAZINE clinicaltrials
    TP-21 clinicaltrials
    MELLARIL-S clinicaltrials
    MELLARIL clinicaltrials
    N3D6TG58NI FDA SRS
    THIORIDAZINE rxnorm
    DTXSID6023656 EPA CompTox Dashboard
    2637 DrugCentral
    50002338 BindingDB
    THIORIDAZINE HYDROCHLORIDE rxnorm
    THIORIDAZINE DailyMed
    J4.104A Nikkaji
    THIORIDAZINE HYDROCHLORIDE clinicaltrials
    1933662 eMolecules
    100 Guide to Pharmacology
    The data in this table is sourced from UniChem at EBI.