Dataset

Beclomethasone dipropionate; LC-ESI-Q; MS; POS; 75 V, 90 V

This MassBank record with Accession MSBNK-Waters-WA002388 contains the MS mass spectrum of Beclomethasone dipropionate with the InChIkey KUVIULQEHSCUHY-XYWKZLDCSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1
SMILES C(C(OC(=O)CC)4C(=O)COC(=O)CC)(C3([H])CC(C)4)(CC(O)C(C23[H])(C(C=1CC2)(C=CC(=O)C1)C)Cl)C
InChI Key KUVIULQEHSCUHY-XYWKZLDCSA-N
Molecular Formula C28H37ClO7
Exact Mass 520.223 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-WA002388
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    BECLOMETHASONE DIPROPIONATE DailyMed
    WOYPAB CCDC
    BECLOMETHASONE DIPROPIONATE rxnorm
    BECLOMETHASONE DIPROPIONATE MONOHYDRATE rxnorm
    QNASL rxnorm
    VANCENASE clinicaltrials
    VANCERIL clinicaltrials
    SGX-201 clinicaltrials
    SERNIVO clinicaltrials
    BECLOMET clinicaltrials
    BECLOMETASONE DIPROPIONATE clinicaltrials
    BECLOMETHASONE DIPROPIONATE clinicaltrials
    BECLOVENT clinicaltrials
    BECONASE clinicaltrials
    HY-13571A MedChemExpress
    DTXSID3048730 EPA CompTox Dashboard
    294 DrugCentral
    J7.992H Nikkaji
    5894 Guide to Pharmacology
    BECONASE rxnorm
    3002 ChEBI
    CHEMBL1200500 ChEMBL
    SAM002699895 NIH Clinical Collection
    C07813 KEGG Ligand
    SCHEMBL6890 SureChEMBL
    beclomethasone dipropionate DailyMed
    HMDB0014538 Human Metabolome Database
    ZINC000003938744 ZINC
    CB4376831 ChemicalBook
    29534884 eMolecules
    14836381 PubChem: Thomson Pharma
    21700 PubChem
    PD003134 ProbesDrugs
    VENTOLAIR clinicaltrials
    SANASTHMAX clinicaltrials
    DB00394 DrugBank
    14885124 PubChem: Thomson Pharma
    LSM-4209 LINCS
    5534-09-8 ACToR
    34135-07-4 ACToR
    beclomethasone-dipropionate Selleck
    5B307S63B2 FDA SRS
    The data in this table is sourced from UniChem at EBI.