Dataset

Vecuronium; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA001760 contains the MS mass spectrum of Vecuronium with the InChIkey BGSZAXLLHYERSY-XQIGCQGXSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
SMILES C([N+1]1(C(C2)C(C(C3)(C)C([H])2C(C6)([H])C(C(C4(C6)[H])(CC(N(C5)CCCC5)C(C4)OC(C)=O)C)([H])C3)OC(C)=O)C)CCCC1
InChI Key BGSZAXLLHYERSY-XQIGCQGXSA-N
Molecular Formula [C34H57N2O4]+
Exact Mass 557.432 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-WA001760
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-4520566918 Mcule
    SCHEMBL13575838 SureChEMBL
    vecuronium DailyMed
    HMDB0015432 Human Metabolome Database
    PA164748865 PharmGKB
    LSM-5367 LINCS
    60022123 NMRShiftDB
    PD009547 ProbesDrugs
    5438723848 FDA SRS
    14837446 PubChem: Thomson Pharma
    39765 PubChem
    86029-43-8 ACToR
    VECURONIUM DailyMed
    50424713 BindingDB
    VECURONIUM rxnorm
    VECURONIUM CATION rxnorm
    VECURONIUM clinicaltrials
    VECURONIUM BROMIDE clinicaltrials
    NORCURON clinicaltrials
    ORG-NC 45 clinicaltrials
    DTXSID1044146 EPA CompTox Dashboard
    2811 DrugCentral
    4002 Guide to Pharmacology
    J355.440F Nikkaji
    JODZUX CCDC
    VECURONIUM BROMIDE rxnorm
    ZINC000004097404 ZINC
    C07553 KEGG Ligand
    CHEMBL1201219 ChEMBL
    9939 ChEBI
    DB01339 DrugBank
    The data in this table is sourced from UniChem at EBI.