Dataset

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

This MassBank record with Accession MSBNK-Waters-WA000278 contains the MS mass spectrum of Propoxyphene with the InChIkey XLMALTXPSGQGBX-GCJKJVERSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m1/s1
SMILES CCC(=O)OC(Cc(c2)cccc2)(c(c1)cccc1)C([H])(C)CN(C)C
InChI Key XLMALTXPSGQGBX-GCJKJVERSA-N
Molecular Formula C22H29NO2
Exact Mass 339.220 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-WA000278
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • [(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PROPOXYPHENE clinicaltrials
    DARVON-N clinicaltrials
    PROPOXYPHENE NAPSYLATE clinicaltrials
    DOLENE clinicaltrials
    II2G62OV6F FDA SRS
    PROPOXYPHENE HYDROCHLORIDE clinicaltrials
    DARVON clinicaltrials
    DEXTROPROPOXYPHENE HYDROCHLORIDE clinicaltrials
    DEXTROPROPOXYPHENE clinicaltrials
    PROPOXYPHENE NAPSYLATE rxnorm
    PROPOXYPHENE rxnorm
    PROPOXYPHENE HYDROCHLORIDE rxnorm
    PROPOXYPHENE DailyMed
    82269 BindingDB
    DB00647 DrugBank
    DEXPRO CCDC
    J5.928E Nikkaji
    7593 Guide to Pharmacology
    ZINC000001530769 ZINC
    844 DrugCentral
    DTXSID1023524 EPA CompTox Dashboard
    CHEMBL1213351 ChEMBL
    51173 ChEBI
    10100 PubChem
    SCHEMBL25405 SureChEMBL
    145068 Brenda
    propoxyphene DailyMed
    145982 Brenda
    15025964 PubChem: Thomson Pharma
    PD009225 ProbesDrugs
    S2F83W92TK FDA SRS
    469-62-5 ACToR
    21086-94-2 ACToR
    The data in this table is sourced from UniChem at EBI.