Dataset

Betamethasone

This MassBank record with Accession MSBNK-Waters-WA001161 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-WA001161
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:29:51.061202
MetadataModified 2025-02-09T20:21:08.152786
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
TACLONEX rxnorm
BETAMETHASONE rxnorm
LOTRISONE rxnorm
CELESTONE clinicaltrials
BETAMETHASONE clinicaltrials
RINDERON clinicaltrials
BETAMETHASONE DailyMed
43871 Brenda
DTXSID3022667 EPA CompTox Dashboard
348 DrugCentral
7061 Guide to Pharmacology
J2.038I Nikkaji
73823 BindingDB
HY-13570 MedChemExpress
CHEMBL632 ChEMBL
3077 ChEBI
DB00443 DrugBank
HMDB0014586 Human Metabolome Database
105589 Brenda
ZINC000003876136 ZINC
betamethasone DailyMed
CB7392335 ChemicalBook
SCHEMBL4565 SureChEMBL
9842X06Q6M FDA SRS
PD010025 ProbesDrugs
LSM-2864 LINCS
15004923 PubChem: Thomson Pharma
14756597 PubChem: Thomson Pharma
9782 PubChem
Betamethasone-(Celestone) Selleck
PA164754818 PharmGKB
378-44-9 ACToR
31224942 eMolecules
535310 eMolecules
The data in this table is sourced from UniChem at EBI.