Dataset

Vardenafil

This MassBank record with Accession MSBNK-Athens_Univ-AU235903 contains the MS2 mass spectrum of Vardenafil with the InChIkey SECKRCOLJRRGGV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
SMILES CCCC1=NC(C)=C2N1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(CC)CC1
InChI Key SECKRCOLJRRGGV-UHFFFAOYSA-N
Molecular Formula C23H32N6O4S
Exact Mass 488.221 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-AU235903
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Author
Maintainer
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MetadataPublished 2019-05-30
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    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
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    HY-B0442 MedChemExpress
    DTXSID3048318 EPA CompTox Dashboard
    50088373 BindingDB
    2809 DrugCentral
    7320 Guide to Pharmacology
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    CHEMBL1520 ChEMBL
    VDN PDBe
    PD009681 ProbesDrugs
    46295 ChEBI
    UCE6F4125H FDA SRS
    14785997 PubChem: Thomson Pharma
    SCHEMBL5772 SureChEMBL
    224785-90-4 ACToR
    14932815 PubChem: Thomson Pharma
    LSM-2292 LINCS
    30390394 eMolecules
    36366753 eMolecules
    36516854 eMolecules
    MCULE-5211071344 Mcule
    PA10229 PharmGKB
    70659 Brenda
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    HMDB0015000 Human Metabolome Database
    117594 Brenda
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    The data in this table is sourced from UniChem at EBI.