ChemicalBook--->CAS DataBase List--->66852-54-8

66852-54-8

66852-54-8 Structure

66852-54-8 Structure
IdentificationMore
[Name]

Halobetasol propionate
[CAS]

66852-54-8
[Synonyms]

21-chloro-6alpha,9-difluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-propionate
HALOBETASOL PROPIONATE
ulobetasol propionate
Halobetasol
6 alpha-fluoroclobetasol 17-propionate
21-Chloro-6alpha,9-difluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-propionate
(6α,11β,16β)-21-Chloro-6,9-difluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione
BMY-30056
CGP-14458
Uiobetasol Propionate
Ultravate
Pregna-1,4-diene-3,20-dione, 21-chloro-6,9-difluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy)-, (6-alpha,11-beta,16-beta)
[EINECS(EC#)]

686-247-0
[Molecular Formula]

C25H31ClF2O5
[MDL Number]

MFCD00866013
[Molecular Weight]

484.96
[MOL File]

66852-54-8.mol
Chemical PropertiesBack Directory
[Melting point ]

213-215°C
[Boiling point ]

570.7±50.0 °C(Predicted)
[density ]

1.31±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

Dioxane (Sparingly), DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

12.55±0.70(Predicted)
[color ]

White to Off-White
[Major Application]

pharmaceutical (small molecule)
[InChIKey]

BDSYKGHYMJNPAB-QNGYMBKVNA-N
[SMILES]

O([C@@]1([C@H](C[C@@]2([H])[C@]3([H])C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C)C(=O)CCl)C(=O)CC |&1:1,2,4,6,9,17,19,21,24,r|
[CAS DataBase Reference]

66852-54-8(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Danger
[Hazard statements ]

H372-H341-H361
[Precautionary statements ]

P260-P264-P270-P314-P501-P201-P202-P281-P308+P313-P405-P501-P201-P202-P281-P308+P313-P405-P501
[WGK Germany ]

WGK 3
[HS Code ]

2937220000
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanesulfonyl chloride-->Lithium chloride-->Acetylacetone-->6α,9α-difluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione, 21-propionate-->Diflorasone 17-propionate-->Diflorasone 17-propionate-21-mesylate-->HALOBETASOL-->Diflorasone
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Ulobetasol propionate(66852-54-8).msds
Hazard InformationBack Directory
[Description]

Halobetasol propionate (66852-54-8) is a new ultra-potent topical corticosteroid exhibiting both antiinflammatory and antihyperplasia properties. The compound is recommended for the treatment of moderate to severe corticosteroid-responsive dermatoses and appears to be particularly effective in patients with plaque psoriasis.
[Chemical Properties]

White Solid
[Originator]

Ciba-Geigy (Switzerland)
[Uses]

Anti-inflammatory; a dermatologic agent commonly used to treat psoriasis
[Definition]

ChEBI: Ulobetasol propionate is a corticosteroid hormone.
[Brand name]

Ultravate (Westwood-Squibb).
[Synthesis]

Halobetasol propionate is synthesized from 17-hydroxy-9β,11β-epoxy-16β-methylpregna-1,4-diene-3,20-dione-21-acetate in multiple steps. Key steps include: 1) Introduction of a double bond using conc. H2SO4 in isopropylidene acetate. 2) 6α-Fluorination usin
Spectrum DetailBack Directory
[Spectrum Detail]

Halobetasol propionate(66852-54-8)1HNMR
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