Chemical substance record

Dexamethasone

50-02-2C₂₂H₂₉FO₅392.467 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A fluorinated steroid that is 9-fluoropregna-1,4-diene substituted by hydroxy groups at positions 11, 17 and 21, a methyl group at position 16 and oxo groups at positions 3 and 20. It is a synthetic member of the class of glucocorticoids. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	50-02-2	ChEBI ↗
Molecular formula	C₂₂H₂₉FO₅	ChEBI ↗
Molar mass	392.467 g/mol	ChEBI ↗
Monoisotopic mass	392.1999 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:41879	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	392.5 g/mol	PubChem ↗
Exact mass	392.19990218 Da	PubChem ↗
Computed XLogP	1.9	PubChem ↗
Topological polar surface area (Å²)	94.8	PubChem ↗
H-bond donors	3	PubChem ↗
H-bond acceptors	6	PubChem ↗
Rotatable bonds	2	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

dexamethasone

IUPAC name

9-fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione

InChIKey

UREBDLICKHMUKA-CXSFZGCWSA-N

SMILES

[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C

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

Names & synonyms

9-fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dioneAeroseb-DexAuxironAziumCalonatCorsonCortisummanDecacortDecadronDecajectDecalixDecameth

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

glucocorticoidChEBI parent class · 24261 ↗17alpha-hydroxy steroidChEBI parent class · 35342 ↗21-hydroxy steroidChEBI parent class · 35344 ↗11beta-hydroxy steroidChEBI parent class · 35346 ↗20-oxo steroidChEBI parent class · 36885 ↗fluorinated steroidChEBI parent class · 50830 ↗3-oxo-Delta(1),Delta(4)-steroidChEBI parent class · 77166 ↗

ketone lipid organofluorine compound organic molecular entity

Roles recorded in ChEBI

antiviral agentrenoprotective agentantifibrotic agentantitubercular agentantimicrobial agentantibacterial agentantiinfective agentantiparasitic agentanti-inflammatory druganalgesic

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00254798 mol

Uses 392.467 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 22 atoms

67.33%

O

Oxygen · 5 atoms

20.38%

H

Hydrogen · 29 atoms

7.45%

F

Fluorine · 1 atom

4.84%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Dexamethasone suppresses iNOS gene expression by inhibiting NF-kappaB in vascular smooth muscle cells. ↗Life sciences · 2001 Jul 20 · PMID 11508649

Crystal structure of the glucocorticoid receptor ligand binding domain reveals a novel mode of receptor dimerization and coactivator recognition. ↗Cell · 2002 Jul 12 · PMID 12151000

DE1113690 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

GB869511 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US3007923 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:41879

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 5743 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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