Basic information
- CAS
1177-87-3- Standard SMILES
CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C- InChIKey
AKUJBENLRBOFTD-RPRRAYFGSA-N- Molecular formula
- C24H31FO6
- Average molar mass
- 434.5 g/mol
- Monoisotopic mass
- 434.21046687
Overview
Dexamethasone acetate is a corticosteroid hormone.
Names & identifiers
- Preferred name
- Dexamethasone Acetate
- IUPAC
- [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- English name
- Dexamethasone-17-acetate
- Molecular formula
- C24H31FO6
- Molecular weight
- 434.5
Names & synonyms
DEXAMETHASONE ACETATE1177-87-3Dexamethasone 21-acetateDecadronalDecadron-LADexamethasone acetate anhydrousFortecortin (crystal suspension)Dalalone DPDalalone LADexamethasoni acetasDTXSID8022901NSC-39471
Show more names
DEXAMETHASON ACETATEDectancyl21-O-Acetyl Dexamethasone9-fluoro-11β,17-dihydroxy-16α-methyl-3,20-dioxopregna-1,4-dien-21-yl acetateDectanPanasoneNSC 39471
9alpha-Fluoro-16alpha-methylprednisolone acetateK7V8P532WPDexamethasone acetate, anhydrous16alpha-Methyl-9alpha-fluoroprednisolone 21-acetateDexamethasoni acetas monohydrateDTXCID402901NSC39471Decadron LA
Database identifiers
- CAS
1177-87-3- PubChem CID
- 236702
- DTXSID
DTXSID8022901- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 910
Experimental & physicochemical properties
DrugsPharmaceuticals -> Dermatologicals -> Corticosteroids, dermatological preparations
LogP2.59
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Pharmaceuticals
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Physicochemical properties
- Melting point
- 238 · 238-240 °C(lit.)
- alpha
- 25 · D25 +73° (chloroform) (Arth, 1958); D +77.6° (Oliveto)
- Boiling point
- 579.4 · 579.4±50.0 °C(Predicted)
- Density
- 1.1517 · 1.1517 (estimate)
- vapor pressure
- 1e-7 kPa · <0.0000001 kPa ( 25 °C)
- refractive index
- 87 ° · 87 ° (C=1, Dioxane)
- storage temp.
- 2 · 2-8°C
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H317 (47.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P260, P261, P272, P280, P302+P352, P318, P319, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 93 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: Dexamethasone 21-acetate (EC: 214-646-8)
Dexamethasone acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Sens. 1 (47.3%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TU4050000
- hs_code
- 29372290
- risk_code
- 43
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- hazard_code
- Xi
- safety_code
- 36/37
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H360FD
- REACH Registrations
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that reduce or suppress INFLAMMATION.
Uses & manufacturing
Use Classification
Pharmaceuticals -> Transformation products
Pharmaceuticals
General Manufacturing InformationPregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11.beta.,16.alpha.)-: ACTIVE
Applications
UsesProtected Dexamethasone, a glucocorticoid anti-inflammatory agent.
UsesDexamethasone has many uses in the treatment of cancer. Dexamethasone relieves inflammation in various parts of the body. To treat or prevent allergic reactions. As treatment of certain kinds of autoimmune diseases, skin conditions, asthma and other lung conditions. As treatment for a variety of cancers, such as leukemia, lymphoma, and multiple myeloma. It is also used for replacement therapy in adrenal insufficiency and in a screening test for the diagnosis of cushing's syndrome. Dexamethasone Acetate has also been determined to markedly decrease the number of activated macrophages. In addition, Dexamethasone Acetate has been observed to significantly decrease mRNA levels of TPH2 (tryptophan hydroxylase-2) in the raphe nuclei of C57/Bl6 mice.
UsesDexamethasone acetate is used as a pharmaceutical primary standard to quantify the analyte in pharmaceutical formulations using chromatography ttechniques.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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