Dataset

Clobetasol propionate; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU283705 contains the MS2 mass spectrum of Clobetasol propionate with the InChIkey CBGUOGMQLZIXBE-XGQKBEPLSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1
SMILES CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl
InChI Key CBGUOGMQLZIXBE-XGQKBEPLSA-N
Molecular Formula C25H32ClFO5
Exact Mass 466.192 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-AU283705
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MetadataPublished 2019-05-31
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
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    PD003199 ProbesDrugs
    779619577M FDA SRS
    14858433 PubChem: Thomson Pharma
    LSM-5281 LINCS
    25122-46-7 ACToR
    clobetasol-propionate Selleck
    SCHEMBL3997 SureChEMBL
    XRD PDBe
    36553102 eMolecules
    29534892 eMolecules
    PA164744375 PharmGKB
    CB6274337 ChemicalBook
    clobetasol propionate DailyMed
    ZINC000003977767 ZINC
    DB01013 DrugBank
    CHEMBL1159650 ChEMBL
    SAM002564250 NIH Clinical Collection
    31414 ChEBI
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    39347 BindingDB
    CORMAX rxnorm
    OLUX rxnorm
    TEMOVATE rxnorm
    CLOBEX rxnorm
    IMPOYZ rxnorm
    CLOBETASOL PROPIONATE rxnorm
    TEMOVATE clinicaltrials
    IMPOYZ clinicaltrials
    PSOREX clinicaltrials
    DERMOVATE clinicaltrials
    CLOBEX clinicaltrials
    HY-13600 MedChemExpress
    CORMAX clinicaltrials
    CLOBETASOL 17-PROPIONATE clinicaltrials
    CLOBETASOL PROPIONATE clinicaltrials
    EMBELINE clinicaltrials
    DTXSID6045907 EPA CompTox Dashboard
    4452 DrugCentral
    7062 Guide to Pharmacology
    J21.005F Nikkaji
    AMAVOZ CCDC
    CLOBETASOL rxnorm
    The data in this table is sourced from UniChem at EBI.