Dataset

Betamethasone

This MassBank record with Accession MSBNK-Waters-WA001166 contains the MS mass spectrum of Betamethasone with the InChIkey UREBDLICKHMUKA-DVTGEIKXSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
SMILES OCC(=O)C(O)(C(C)4)C(C)(C3)C([H])(C4)C([H])(C1)C(F)(C(O)3)C(C)(C=2)C(=CC(=O)C2)C1
InChI Key UREBDLICKHMUKA-DVTGEIKXSA-N
Molecular Formula C22H29FO5
Exact Mass 392.200 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-WA001166
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:40.350082
MetadataModified 2024-01-11T22:49:40.511792
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
73823 BindingDB
7061 Guide to Pharmacology
SCHEMBL4565 SureChEMBL
J2.038I Nikkaji
BETAMETHASONE DailyMed
TACLONEX rxnorm
BETAMETHASONE rxnorm
LOTRISONE rxnorm
CELESTONE clinicaltrials
ZINC000003876136 ZINC
BETAMETHASONE clinicaltrials
HY-13570 MedChemExpress
43871 Brenda
DTXSID3022667 EPA CompTox Dashboard
348 DrugCentral
RINDERON clinicaltrials
CHEMBL632 ChEMBL
3077 ChEBI
DB00443 DrugBank
535310 eMolecules
31224942 eMolecules
HMDB0014586 Human Metabolome Database
MolPort-003-845-025 MolPort
105589 Brenda
betamethasone DailyMed
CB7392335 ChemicalBook
9782 PubChem
PD010025 ProbesDrugs
9842X06Q6M FDA SRS
LSM-2864 LINCS
15004923 PubChem: Thomson Pharma
Betamethasone-(Celestone) Selleck
PA164754818 PharmGKB
14756597 PubChem: Thomson Pharma
378-44-9 ACToR
The data in this table is sourced from UniChem at EBI.