Dataset

Dexamethasone

This MassBank record with Accession MSBNK-Waters-WA000577 contains the MS mass spectrum of Dexamethasone with the InChIkey UREBDLICKHMUKA-CXSFZGCWSA-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+/m1/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-CXSFZGCWSA-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-WA000577
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:35:23.558585
MetadataModified 2025-02-09T20:22:36.480587
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C15643 KEGG Ligand
DB01234 DrugBank
CHEMBL384467 ChEMBL
DEX PDBe
SAM002548948 NIH Clinical Collection
12012603 PubChem: Drugs of the Future
DEXAMETHASONE rxnorm
DEXASONE rxnorm
MAXITROL rxnorm
DEXYCU rxnorm
OZURDEX rxnorm
MAXIDEX rxnorm
AEROSEB-DEX clinicaltrials
OZURDEX clinicaltrials
DEXYCU clinicaltrials
DEXA-SINE clinicaltrials
DEXACORTAL clinicaltrials
DEXACORTIN clinicaltrials
DEXAMETHASONE clinicaltrials
DEXAMONOZON clinicaltrials
DEXAPOS clinicaltrials
DEXASONE clinicaltrials
DEXONE clinicaltrials
DEXTENZA clinicaltrials
FORTECORTIN clinicaltrials
DECASPRAY clinicaltrials
ISV-305 clinicaltrials
DECADERM clinicaltrials
DECADRON clinicaltrials
MAXIDEX clinicaltrials
HEXADROL clinicaltrials
NSC-34521 clinicaltrials
LOVERINE clinicaltrials
OTO-104 clinicaltrials
HY-14648 MedChemExpress
147690 Brenda
DTXSID3020384 EPA CompTox Dashboard
824 DrugCentral
3447 Guide to Pharmacology
2768 Guide to Pharmacology
J1.356K Nikkaji
DEXMET CCDC
18207 BindingDB
DEXAMETHASONE DailyMed
152027 Brenda
HEMADY rxnorm
DECADRON rxnorm
DEXTENZA rxnorm
5743 PubChem
PD003027 ProbesDrugs
HEMADY clinicaltrials
dexamethasone Atlas
7S5I7G3JQL FDA SRS
LSM-5512 LINCS
14805314 PubChem: Thomson Pharma
23495-06-9 ACToR
PA449247 PharmGKB
Dexamethasone Selleck
14805313 PubChem: Thomson Pharma
137098-19-2 ACToR
30067429 eMolecules
31411022 eMolecules
29541178 eMolecules
497104 eMolecules
48979 Brenda
HMDB0015364 Human Metabolome Database
CB4261243 ChemicalBook
dexamethasone DailyMed
ZINC000003875332 ZINC
48978 Brenda
1159 Brenda
MCULE-4773827191 Mcule
SCHEMBL3774 SureChEMBL
41879 ChEBI
The data in this table is sourced from UniChem at EBI.