Dataset

Betamethasone

This MassBank record with Accession MSBNK-Waters-WA001162 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-WA001162
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:45:41.249490
MetadataModified 2024-01-11T22:45:41.419716
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J2.038I Nikkaji
7061 Guide to Pharmacology
43871 Brenda
HY-13570 MedChemExpress
BETAMETHASONE clinicaltrials
RINDERON clinicaltrials
CELESTONE clinicaltrials
LOTRISONE rxnorm
BETAMETHASONE rxnorm
TACLONEX rxnorm
BETAMETHASONE DailyMed
73823 BindingDB
348 DrugCentral
DTXSID3022667 EPA CompTox Dashboard
ZINC000003876136 ZINC
CHEMBL632 ChEMBL
3077 ChEBI
DB00443 DrugBank
105589 Brenda
betamethasone DailyMed
CB7392335 ChemicalBook
HMDB0014586 Human Metabolome Database
535310 eMolecules
31224942 eMolecules
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
SCHEMBL4565 SureChEMBL
The data in this table is sourced from UniChem at EBI.