Dataset

Finasteride; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU270203 contains the MS2 mass spectrum of Finasteride with the InChIkey DBEPLOCGEIEOCV-WSBQPABSSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
InChI Key DBEPLOCGEIEOCV-WSBQPABSSA-N
Molecular Formula C23H36N2O2
Exact Mass 372.278 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU270203
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Maintainer
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MetadataPublished 2019-05-30
Related Molecule
  • (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PROPECIA clinicaltrials
    MK-906 clinicaltrials
    HY-13635 MedChemExpress
    J367.472J Nikkaji
    DTXSID3020625 EPA CompTox Dashboard
    PROPECIA rxnorm
    1171 DrugCentral
    50334788 BindingDB
    6818 Guide to Pharmacology
    PROSCAR rxnorm
    WOLXOK CCDC
    FINASTERIDE DailyMed
    FINASTERIDE rxnorm
    FINASTERIDE clinicaltrials
    PROSCAR clinicaltrials
    CHEMBL710 ChEMBL
    FIT PDBe
    SAM001246541 NIH Clinical Collection
    DB01216 DrugBank
    5062 ChEBI
    12014292 PubChem: Drugs of the Future
    PA449627 PharmGKB
    1012 Brenda
    132256 Brenda
    40816 Brenda
    HMDB0001984 Human Metabolome Database
    CB9433852 ChemicalBook
    finasteride DailyMed
    ZINC000003782599 ZINC
    57363 PubChem
    PD002995 ProbesDrugs
    57GNO57U7G FDA SRS
    LSM-1999 LINCS
    SCHEMBL5509 SureChEMBL
    14926633 PubChem: Thomson Pharma
    Finasteride Selleck
    14779683 PubChem: Thomson Pharma
    98319-26-7 ACToR
    538270 eMolecules
    27520086 eMolecules
    The data in this table is sourced from UniChem at EBI.