Dataset

Amlodipine; LC-ESI-QTOF; MS2; 30 V

This MassBank record with Accession MSBNK-BAFG-CSL2311095248 contains the MS2 mass spectrum of Amlodipine with the InChIkey HTIQEAQVCYTUBX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3
SMILES CCOC(=O)C1=C(COCCN)NC(=C(C1c2ccccc2Cl)C(=O)OC)C
InChI Key HTIQEAQVCYTUBX-UHFFFAOYSA-N
Molecular Formula C20H25ClN2O5
Exact Mass 408.145 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311095248
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MetadataPublished 2023-11-09
Related Molecule
  • 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1491 ChEMBL
    12013616 PubChem: Drugs of the Future
    C06825 KEGG Ligand
    DB00381 DrugBank
    2668 ChEBI
    AMLODIPINE DailyMed
    J33.383B Nikkaji
    AMLODIPINE BESYLATE rxnorm
    NORVASC rxnorm
    AMLODIPINE clinicaltrials
    ISTIN clinicaltrials
    NORVASC clinicaltrials
    AMVAZ clinicaltrials
    AMLODIPINE BESILATE clinicaltrials
    AMLODIPINE BESYLATE clinicaltrials
    AMLODIPINE MALEATE clinicaltrials
    AMLOR clinicaltrials
    HGP-0904 clinicaltrials
    HGP0904 clinicaltrials
    HY-B0317 MedChemExpress
    1J444QC288 FDA SRS
    DTXSID7022596 EPA CompTox Dashboard
    183 DrugCentral
    6981 Guide to Pharmacology
    AMLODIPINE rxnorm
    9782 Brenda
    50088383 BindingDB
    HMDB0005018 Human Metabolome Database
    amlodipine DailyMed
    SCHEMBL26478 SureChEMBL
    MCULE-8264151664 Mcule
    88150-42-9 ACToR
    LSM-1388 LINCS
    2162 PubChem
    PD010213 ProbesDrugs
    PA448388 PharmGKB
    Amlodipine(Norvasc) Selleck
    14781768 PubChem: Thomson Pharma
    901374 eMolecules
    The data in this table is sourced from UniChem at EBI.