Dataset

CANDESARTAN CILEXETIL; ESI-QTOF; MS2; CE 20eV; [M-H]-

This MassBank record with Accession MSBNK-UPAO-UPA00014 contains the MS2 mass spectrum of CANDESARTAN CILEXETIL with the InChIkey GHOSNRCGJFBJIB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38)
SMILES CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6
InChI Key GHOSNRCGJFBJIB-UHFFFAOYSA-N
Molecular Formula C33H34N6O6
Exact Mass 610.254 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UPAO-UPA00014
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MetadataPublished 2016-01-19
Related Molecule
  • 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1014 ChEMBL
    12014669 PubChem: Drugs of the Future
    CANDESARTAN CILEXETIL DailyMed
    50318907 BindingDB
    ATACAND rxnorm
    CANDESARTAN CILEXETIL clinicaltrials
    ATACAND clinicaltrials
    TCV-116 clinicaltrials
    HY-17505 MedChemExpress
    R85M2X0D68 FDA SRS
    8352 Guide to Pharmacology
    3348 ChEBI
    DTXSID5020239 EPA CompTox Dashboard
    475 DrugCentral
    J1.640.921I Nikkaji
    HMDB0249581 Human Metabolome Database
    CANDESARTAN CILEXETIL rxnorm
    Candesartan-cilexetil-Atacand Selleck
    LSM-1716 LINCS
    145040-37-5 ACToR
    14887395 PubChem: Thomson Pharma
    2540 PubChem
    57582538 PubChem: Thomson Pharma
    PD001206 ProbesDrugs
    1985914 eMolecules
    SCHEMBL40831 SureChEMBL
    CB3209325 ChemicalBook
    candesartan cilexetil DailyMed
    DB00796 DrugBank
    The data in this table is sourced from UniChem at EBI.