Diflorasone Diacetate
Basic information
- CAS
33564-31-7- Standard SMILES
CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C- InChIKey
BOBLHFUVNSFZPJ-JOYXJVLSSA-N- Molecular formula
- C26H32F2O7
- Average molar mass
- 494.5 g/mol
- Monoisotopic mass
- 494.21160968
Overview
Diflorasone diacetate is the 17,21-diacetate derivative of diflorasone. It is used topically for its anti-inflammatory and antipruritic properties in the treatment of various skin disorders. It has a role as an anti-inflammatory drug and an antipruritic drug. It is a glucocorticoid, an 11beta-hydroxy steroid, a 20-oxo steroid, an acetate ester, a fluorinated steroid and a 3-oxo-Delta(1),Delta(4)-steroid. It is functionally related to an acetic acid and a diflorasone. It derives from a hydride of a pregnane.
Names & identifiers
- Preferred name
- Diflorasone Diacetate
- IUPAC
- [2-[(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-acetyloxy-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- English name
- Diflorasone diacetate
- Molecular formula
- C26H32F2O7
- Molecular weight
- 494.52
Names & synonyms
Diflorasone diacetate33564-31-7FloronePsorconFlorone EDiflorasone di(acetate)Psorcon EDTXSID80456467W2J09SCWX6alpha,9-Difluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17,21-diacetateU-34865U-34,865
Show more names
DiflalDiacortDifulalU 24865MaxiflorSoriflorDermaflor
6alpha-Fluorobetamethasone-17,21 diacetate[2-[(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-acetyloxy-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetateDTXCID6025646CHEBI:31483Pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-, (6alpha,11beta,16beta)-(2-((6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-acetyloxy-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta(a)phenanthren-17-yl)-2-oxoethyl) acetateRefChem:57260251-575-1
Database identifiers
- CAS
33564-31-7
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 1,050
Experimental & physicochemical properties
DrugsPharmaceuticals -> Dermatologicals -> Corticosteroids, dermatological preparations
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Pharmaceuticals
Collision Cross Section209.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 221 · 221-223° (dec)
- alpha
- 61 ° · D +61° (chloroform)
- Boiling point
- 235 °C · 235°C (rough estimate)
- Density
- 1.2001 · 1.2001 (estimate)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 12.63 · 12.63±0.70(Predicted)
- form
- Solid
- color
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
Warning
H312 (95.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P203, P261, P271, P280, P302+P352, P304+P340, P317, P318, P321, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.2%)
Safety data
- wgk
- 3
- rtecs
- TU3722000
- hs_code
- 2937220000
- risk_code
- 20/21/22-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 22-36
- Hazard statements
- H312+H332-H351
- Precautionary statements
- P202-P261-P280-P302+P352+P312-P304+P340+P312-P308+P313
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
DIFLORASONE DIACETATE
Corticosteroid [EPC]; Corticosteroid Hormone Receptor Agonists [MoA]
MeSH Pharmacological Classification
Substances that reduce or suppress INFLAMMATION.
A group of CORTICOSTEROIDS that affect carbohydrate metabolism (GLUCONEOGENESIS, liver glycogen deposition, elevation of BLOOD SUGAR), inhibit ADRENOCORTICOTROPIC HORMONE secretion, and possess pronounced anti-inflammatory activity. They also play a role in fat and protein metabolism, maintenance of arterial blood pressure, alteration of the connective tissue response to injury, reduction in the number of circulating lymphocytes, and functioning of the central nervous system.
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesAn anti-inflammatory and anti-itching corticosteroid usually present in topical creams.
UsesAnti-inflammatory (topical)
Upstream & downstream products
Upstream raw materials
Additional notes
Suppliers
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Related reactions
1 records
Compound notes
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