Dexamethasone

Athanor · official

C₂₂H₂₉FO₅ · 392.5 g/mol

IUPAC name: (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

Also called Decadron, corticosteroid

Drugs Lipids

Open in Athanor

Drawn from its SMILES with RDKit

DangerCauses skin irritation · May cause an allergic skin reaction · Causes serious eye irritation · May cause allergy or asthma symptoms or breathing difficulties if inhaled · May cause respiratory irritation · May damage fertility or the unborn child · May damage the unborn child · May causes damage to organs through prolonged or repeated exposure · Very toxic to aquatic life with long lasting effects

Names and identifiers

IUPAC name: (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Synonyms: Decadron, corticosteroid, Aeroseb-Dex
+ 36 more
Cortisumman, Calonat, Decaderm, Dexacortal, Dexacortin, Prednisolone F, Fluormethylprednisolone, Deltafluorene, Hexadecadrol, Superprednol, Visumetazone, Aphtasolon, Decasone, Decaspray, Dekacort, Desadrene, Desameton, Dexadeltone, Dexalona, Dexameth, Dexapolcort, Fortecortin, Gammacorten, Millicorten, Auxiron, Corsone, Decalix, Dexason, Dexone, Dexa-Cortidelt, Dexa-Scheroson, Dexa-sine, Dergramin, Desamethasone, Deseronil, Dexafarma
Molecular formula: C₂₂H₂₉FO₅
Empirical formula: C₂₂H₂₉FO₅
Molecular weight: 392.5 g/mol
Exact mass: 392.19990
CAS number: 50-02-2
PubChem CID: 5743
Canonical SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C
Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C
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
InChIKey: UREBDLICKHMUKA-CXSFZGCWSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity

Appearance: Dexamethazone is an odorless white to off-white crystalline powder with a slightly bitter taste. (NTP, 1992)[1]
2 values
From CAMEO Chemicals, the most authoritative source here.
Value As written Source
–shown Dexamethazone is an odorless white to off-white crystalline powder with a slightly bitter taste. (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
– WHITE TO PRACTICALLY WHITE CRYSTALLINE POWDER [2] Hazardous Substances Data Bank (HSDB)cites Osol, A. and J.E. Hoover, et al. (eds.). Remington's Pharmaceutical Sciences. 15th ed. Easton, Pennsylvania: Mack Publishing Co., 1975., p. 890
Melting point: 262 to 264 °C (504 to 507 °F, NTP 1992)[1]
Solubility in water: In water, 89.0 mg/L at 25 °C[2]
3 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– less than 1 mg/mL at 77 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
– ODORLESS OR HAS SLIGHT ODOR OF ALCOHOL; WHITE, OR SLIGHTLY YELLOW, CRYSTALLINE POWDER; 1 G DISSOLVES IN ABOUT 2 ML OF WATER; INSOL IN DIOXANE; SLIGHTLY SOL IN ALC; INSOL IN ETHER & CHLOROFORM; VERY HYGROSCOPIC /DEXAMETHASONE SODIUM PHOSPHATE/ [2] Hazardous Substances Data Bank (HSDB)cites Osol, A. and J.E. Hoover, et al. (eds.). Remington's Pharmaceutical Sciences. 15th ed. Easton, Pennsylvania: Mack Publishing Co., 1975., p. 891
–shown In water, 89.0 mg/L at 25 °C [2] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan., Handbook of Aqueous Solubility Data: An Extensive Compilation of Aqueous Solubility Data for Organic Compounds Extracted from the AQUASOL dATAbASE. CRC Press LLC, Boca Raton, FL. 2003., p. 1197
log P: log Kow = 1.83[2]

Value	As written	Source
–shown	Dexamethazone is an odorless white to off-white crystalline powder with a slightly bitter taste. (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
–	WHITE TO PRACTICALLY WHITE CRYSTALLINE POWDER	[2] Hazardous Substances Data Bank (HSDB)cites Osol, A. and J.E. Hoover, et al. (eds.). Remington's Pharmaceutical Sciences. 15th ed. Easton, Pennsylvania: Mack Publishing Co., 1975., p. 890

Value	As written	Source
–	less than 1 mg/mL at 77 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
–	ODORLESS OR HAS SLIGHT ODOR OF ALCOHOL; WHITE, OR SLIGHTLY YELLOW, CRYSTALLINE POWDER; 1 G DISSOLVES IN ABOUT 2 ML OF WATER; INSOL IN DIOXANE; SLIGHTLY SOL IN ALC; INSOL IN ETHER & CHLOROFORM; VERY HYGROSCOPIC /DEXAMETHASONE SODIUM PHOSPHATE/	[2] Hazardous Substances Data Bank (HSDB)cites Osol, A. and J.E. Hoover, et al. (eds.). Remington's Pharmaceutical Sciences. 15th ed. Easton, Pennsylvania: Mack Publishing Co., 1975., p. 891
–shown	In water, 89.0 mg/L at 25 °C	[2] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan., Handbook of Aqueous Solubility Data: An Extensive Compilation of Aqueous Solubility Data for Organic Compounds Extracted from the AQUASOL dATAbASE. CRC Press LLC, Boca Raton, FL. 2003., p. 1197

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms: 28
Rings: 4
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 0.73
H-bond donors: 3
H-bond acceptors: 5 computed here · PubChem 6
Rotatable bonds: 2
TPSA (Å²): 94.8
Formal charge: 0
XLogP3: 1.9 PubChem
Complexity: 805 PubChem
Stereocenters: 8 definedCIP: C2: R · C4: S · C5: S · C14: S · C16: R · C18: S · C21: S · C23: R
Double-bond geometry: None specified
Point group: C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C67.33%
H7.45%
F4.84%
O20.38%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: 1.9 Crippen (Wildman and Crippen 1999)
log S (water solubility): -3.34 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 4.64 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 392.47
log P ≤ 5 (Crippen): 1.9
H-bond donors ≤ 5: 3
H-bond acceptors ≤ 10: 5

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Danger

Most widely reported: 187 company reports to ECHA. Source [3].

Harmful or irritant
Health hazard
Environmental hazard

H315Causes skin irritation (24.6% of reports)
H317May cause an allergic skin reaction (26.2% of reports)
H319Causes serious eye irritation (25.1% of reports)
H334May cause allergy or asthma symptoms or breathing difficulties if inhaled (24.1% of reports)
H335May cause respiratory irritation (24.1% of reports)
H360May damage fertility or the unborn child (51.9% of reports)
H360DMay damage the unborn child (12.8% of reports)
H373May causes damage to organs through prolonged or repeated exposure (35.8% of reports)
H410Very toxic to aquatic life with long lasting effects (33.2% of reports)

Precautionary statements: P203, P233, P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P391, P403, P403+P233, P405, P501

View all classifications (2)

[3] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 0.5% (1 of 187) of reports.
[3] European Chemicals Agency (ECHA) · 187 reports · DangerH315, H317, H319, H334, H335, H360, H360D, H373, H410

First aid

Eyes: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. Immediately transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. Skin: Immediately flood affected skin with water while removing and isolating all contaminated clothing.[1]

Safety data sheets on the supplier’s page: Sigma-Aldrich, Thermo Fisher Scientific, CymitQuimica.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
[2]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[3]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[4]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[5]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[6]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[7]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
[8]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.