Dataset

Amlodipine; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA001846 contains the MS mass spectrum of Amlodipine with the InChIkey HTIQEAQVCYTUBX-KRWDZBQOSA-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/t17-/m0/s1
SMILES NCCOCC(N1)=C(C(=O)OCC)C(c(c2)c(Cl)ccc2)C(C(=O)OC)=C(C)1
InChI Key HTIQEAQVCYTUBX-KRWDZBQOSA-N
Molecular Formula C20H25ClN2O5
Exact Mass 408.145 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-WA001846
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-O-ethyl 5-O-methyl (4S)-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
    DB09237 drugbank
    CHEBI:53796 chebi
    6UB rcsb_pdb
    CHEMBL2111097 chembl
    30994756 surechembl
    41283 surechembl
    9822750 pubchem
    0P6NLP6806 fdasrs
    6UB pdbe
    PD008989 probes_and_drugs
    DTXSID50904504 comptox
    NCT01128322 clinicaltrials
    NCT01246193 clinicaltrials
    NCT01340131 clinicaltrials
    NCT01352689 clinicaltrials
    NCT01356043 clinicaltrials
    NCT01501253 clinicaltrials
    NCT01634295 clinicaltrials
    NCT01842230 clinicaltrials
    NCT01842256 clinicaltrials
    NCT01983735 clinicaltrials
    NCT02250833 clinicaltrials
    NCT02358824 clinicaltrials
    NCT03226340 clinicaltrials
    NCT03226340 clinicaltrials
    NCT03814109 clinicaltrials
    NCT04740840 clinicaltrials
    Molport-006-392-244 molport
    4099 drugcentral
    The data in this table is sourced from UniChem at EBI.