Dataset

Sildenafil; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA002487 contains the MS mass spectrum of Sildenafil with the InChIkey BNRNXUUZRGQAQC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
SMILES CCOc(c4)c(cc(c4)S(=O)(=O)N(C3)CCN(C)C3)C(N1)=Nc(c(CCC)2)c(n(C)n2)C(=O)1
InChI Key BNRNXUUZRGQAQC-UHFFFAOYSA-N
Molecular Formula C22H30N6O4S
Exact Mass 474.205 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-WA002487
Version
Author
Maintainer
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MetadataPublished 2016-01-19
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
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    QEGTUT CCDC
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    REVATIO rxnorm
    PATREX clinicaltrials
    VIAGRA clinicaltrials
    UK-92,480-10 clinicaltrials
    UK-92480-10 clinicaltrials
    SILDENAFIL clinicaltrials
    SILDENAFIL CITRATE clinicaltrials
    REVATIO clinicaltrials
    HIP-0908 clinicaltrials
    HIP0908 clinicaltrials
    VIZARSIN clinicaltrials
    HY-15025 MedChemExpress
    4743 Guide to Pharmacology
    J897.167F Nikkaji
    50238854 BindingDB
    2441 DrugCentral
    CB82675677 ChemicalBook
    135398744 PubChem
    DB00203 DrugBank
    C07259 KEGG Ligand
    CHEMBL192 ChEMBL
    VIA PDBe
    14883184 PubChem: Thomson Pharma
    PD003443 ProbesDrugs
    3M7OB98Y7H FDA SRS
    14834479 PubChem: Thomson Pharma
    139755-83-2 ACToR
    SCHEMBL1895 SureChEMBL
    PA451346 PharmGKB
    LSM-3797 LINCS
    902463 eMolecules
    ZINC000019796168 ZINC
    CB2747316 ChemicalBook
    sildenafil DailyMed
    HMDB0005039 Human Metabolome Database
    615 Brenda
    117589 Brenda
    9139 ChEBI
    MCULE-2481702478 Mcule
    The data in this table is sourced from UniChem at EBI.