Dataset

Galantamine.apt

Chemical Information

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
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
    DB00674 drugbank
    GNT rcsb_pdb
    CHEMBL659 chembl
    2577 surechembl
    29379520 surechembl
    9651 pubchem
    0D3Q044KCA fdasrs
    1T835Z585R fdasrs
    GNT pdbe
    PD001452 probes_and_drugs
    SIBHAM CCDC
    138752 brenda
    1391 brenda
    17243 brenda
    25855 brenda
    70637 brenda
    CHEBI:42944 chebi
    HMDB0014812 hmdb
    DTXSID2045606 comptox
    NCT00000172 clinicaltrials
    NCT00035191 clinicaltrials
    NCT00035204 clinicaltrials
    NCT00082602 clinicaltrials
    NCT00164242 clinicaltrials
    NCT00176423 clinicaltrials
    NCT00181675 clinicaltrials
    NCT00195845 clinicaltrials
    NCT00219869 clinicaltrials
    NCT00226824 clinicaltrials
    NCT00227994 clinicaltrials
    NCT00230997 clinicaltrials
    NCT00232349 clinicaltrials
    NCT00252603 clinicaltrials
    NCT00301574 clinicaltrials
    NCT00304629 clinicaltrials
    NCT00309725 clinicaltrials
    NCT00320736 clinicaltrials
    NCT00423969 clinicaltrials
    NCT00463879 clinicaltrials
    NCT00509067 clinicaltrials
    NCT00523666 clinicaltrials
    NCT00566735 clinicaltrials
    NCT00626613 clinicaltrials
    NCT00645190 clinicaltrials
    NCT00645554 clinicaltrials
    NCT00679627 clinicaltrials
    NCT00741598 clinicaltrials
    NCT00750529 clinicaltrials
    NCT00809835 clinicaltrials
    NCT00814658 clinicaltrials
    NCT00814801 clinicaltrials
    NCT00969696 clinicaltrials
    NCT01012167 clinicaltrials
    NCT01039194 clinicaltrials
    NCT01054976 clinicaltrials
    NCT01100775 clinicaltrials
    NCT01181921 clinicaltrials
    NCT01190748 clinicaltrials
    NCT01190761 clinicaltrials
    NCT01372280 clinicaltrials
    NCT01372306 clinicaltrials
    NCT01416948 clinicaltrials
    NCT01417429 clinicaltrials
    NCT01478633 clinicaltrials
    NCT01508494 clinicaltrials
    NCT01548638 clinicaltrials
    NCT01669538 clinicaltrials
    NCT01677754 clinicaltrials
    NCT01921972 clinicaltrials
    NCT02035982 clinicaltrials
    NCT02098824 clinicaltrials
    NCT02234752 clinicaltrials
    NCT02283242 clinicaltrials
    NCT02365285 clinicaltrials
    NCT02374567 clinicaltrials
    NCT02872857 clinicaltrials
    NCT03014323 clinicaltrials
    NCT03124355 clinicaltrials
    NCT03384784 clinicaltrials
    NCT03454646 clinicaltrials
    NCT03547622 clinicaltrials
    NCT04769206 clinicaltrials
    Molport-002-521-885 molport
    1272 drugcentral
    10404 bindingdb
    The data in this table is sourced from UniChem at EBI.