Dataset

Galantamine.apt

Chemical Info

molecular Image
InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
SMILES COC1=CC=C2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24
InChI Key ASUTZQLVASHGKV-JDFRZJQESA-N
Molecular Formula C17H21NO3
Exact Mass 287.350 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p42.s253.d1466
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1466
Version
Author Peter Spiteller
Maintainer
Language english
MetadataCreated 2024-04-22T16:16:47.950595
MetadataModified 2024-09-23T09:32:49.720088
MetadataPublished 2023-12-24 21:57:47
Related Molecule
  • (1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
    • Field Value
    Measurement Technique a
    Measurement Variables
    NMR solvent : DMSO

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe : 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001

    Temperature : 298 K

    magnetic field strength : 14.092002289585412 Tesla

    number of scans : 4819 scans

    nuclear magnetic resonance pulse sequence : aptsp.ber

    Spectral Width : 230.070686481855

    number of data points : 4 points

    relaxation time measurement : 1 seconds

    Data-Source Molecule ID Data-Source
    CHEMBL659 ChEMBL
    GNT PDBe
    C08526 KEGG Ligand
    10404 BindingDB
    SIBHAM CCDC
    138752 Brenda
    70637 Brenda
    GALANTAMINE HYDROBROMIDE rxnorm
    GALANTAMINE rxnorm
    RAZADYNE rxnorm
    GALANTAMINE clinicaltrials
    NIVALIN clinicaltrials
    NIVALINE clinicaltrials
    GALANTAMINE HYDROBROMIDE clinicaltrials
    HY-76299 MedChemExpress
    REMINYL clinicaltrials
    RAZADYNE clinicaltrials
    1T835Z585R FDA SRS
    MCULE-7156449246 Mcule
    DTXSID2045606 EPA CompTox Dashboard
    1272 DrugCentral
    6693 Guide to Pharmacology
    GALANTAMINE DailyMed
    J11.407C Nikkaji
    MTBLC42944 Metabolights
    PA449726 PharmGKB
    1391 Brenda
    17243 Brenda
    25855 Brenda
    HMDB0014812 Human Metabolome Database
    galantamine DailyMed
    CB8345888 ChemicalBook
    ZINC000000491073 ZINC
    MCULE-7226205054 Mcule
    20062583 NMRShiftDB
    42944 ChEBI
    SCHEMBL2577 SureChEMBL
    1551-02-6 ACToR
    1953-04-4 ACToR
    357-70-0 ACToR
    14751181 PubChem: Thomson Pharma
    LSM-5604 LINCS
    0D3Q044KCA FDA SRS
    DB00674 DrugBank
    PD001452 ProbesDrugs
    14775584 PubChem: Thomson Pharma
    9651 PubChem
    901931 eMolecules
    31226179 eMolecules
    36753247 eMolecules
    The data in this table is sourced from UniChem at EBI.