Dataset

Nicardipine; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA002566 contains the MS mass spectrum of Nicardipine with the InChIkey ZBBHBTPTTSWHBA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3
SMILES c(c1)(N(=O)=O)cccc1C(C(C(=O)OC)=2)C(C(=O)OCCN(C)Cc(c3)cccc3)=C(NC2C)C
InChI Key ZBBHBTPTTSWHBA-UHFFFAOYSA-N
Molecular Formula C26H29N3O6
Exact Mass 479.206 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-WA002566
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1909 DrugCentral
    DTXSID6023363 EPA CompTox Dashboard
    CZ5312222S FDA SRS
    HY-12515 MedChemExpress
    CARDENE clinicaltrials
    NICARDIPINE HYDROCHLORIDE clinicaltrials
    PERDIPINE clinicaltrials
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    NICARDIPINE rxnorm
    CARDENE rxnorm
    NICARDIPINE HYDROCHLORIDE rxnorm
    NICARDIPINE DailyMed
    229725 Brenda
    229726 Brenda
    50101815 BindingDB
    CB2487861 ChemicalBook
    CHEMBL1484 ChEMBL
    2559 Guide to Pharmacology
    DB00622 DrugBank
    C07264 KEGG Ligand
    55985-32-5 ACToR
    LSM-1418 LINCS
    180905 ChEBI
    4474 PubChem
    14907905 PubChem: Thomson Pharma
    PD009884 ProbesDrugs
    1934631 eMolecules
    nicardipine DailyMed
    10124 Brenda
    HMDB0014760 Human Metabolome Database
    69681 Brenda
    PA450620 PharmGKB
    SCHEMBL34277 SureChEMBL
    The data in this table is sourced from UniChem at EBI.