Dataset

Clomipramine; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA000982 contains the MS mass spectrum of Clomipramine with the InChIkey GDLIGKIOYRNHDA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
SMILES CN(C)CCCN(c21)c(c3)c(ccc(Cl)3)CCc(cccc2)1
InChI Key GDLIGKIOYRNHDA-UHFFFAOYSA-N
Molecular Formula C19H23ClN2
Exact Mass 314.155 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-WA000982
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MetadataPublished 2016-01-19
Related Molecule
  • 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2398 Guide to Pharmacology
    DB01242 DrugBank
    C06918 KEGG Ligand
    CHEMBL415 ChEMBL
    CXX PDBe
    24402 Brenda
    77970 BindingDB
    CLOMICALM rxnorm
    CLOMIPRAMINE HYDROCHLORIDE rxnorm
    ANAFRANIL rxnorm
    CLOMIPRAMINE rxnorm
    ANAFRANIL clinicaltrials
    CLOMIPRAMINE HYDROCHLORIDE clinicaltrials
    CLOMICALM clinicaltrials
    CLOMIPRAMINE clinicaltrials
    DTXSID6022844 EPA CompTox Dashboard
    701 DrugCentral
    ZINC000000020248 ZINC
    J8.630D Nikkaji
    CLOMIPRAMINE DailyMed
    15322462 PubChem: Thomson Pharma
    2801 PubChem
    PD009943 ProbesDrugs
    NUV44L116D FDA SRS
    PA449048 PharmGKB
    LSM-3171 LINCS
    303-49-1 ACToR
    SCHEMBL35423 SureChEMBL
    clomipramine Atlas
    1883437 eMolecules
    HMDB0015372 Human Metabolome Database
    CB5173107 ChemicalBook
    clomipramine DailyMed
    75632 Brenda
    48203 Brenda
    4115 Brenda
    MCULE-6443168248 Mcule
    47780 ChEBI
    The data in this table is sourced from UniChem at EBI.