Diflucortolone 21-Valerate

Basic Information

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CAS Number

59198-70-8

Molecular Formula

C27H36F2O5

Molecular Weight

478.58 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

220 ºC

Density

1.1227 (estimate)

Specific Rotation

D22 +100.8° (dioxane)

SMILES

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CCCCC(=O)OCC(=O)C1C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C

InChI

InChI=1S/C27H36F2O5/c1-5-6-7-23(33)34-14-21(31)24-15(2)10-17-18-12-20(28)19-11-16(30)8-9-26(19,4)27(18,29)22(32)13-25(17,24)3/h8-9,11,15,17-18,20,22,24,32H,5-7,10,12-14H2,1-4H3/t15-,17+,18+,20+,22+,24-,25-,26+,27+/m1/s1

InChIKey

HHJIUUAMYGBVSD-QSXHFDLSSA-N

LogP

4.469900000000004

Topological Polar Surface Area

80.67 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

943

Safety Information

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Toxicity

Approx LD50 in mice, rats: >4, 3.1 g/kg orally; 180, 13 mg/kg s.c.; 450, 98 mg/kg i.p. (Gunzel).

Synonyms & References

English

Q-200986
Diflucortolone 21-valerate
Afusona
Q10860261
Diflucortolonevalerate
Nerisona
6alpha,9-Difluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-valerate
DTXCID1028524
59198-70-8
DIFLUCORTOLONE 21-VALERATE [MI]
Tox21_112929
NCGC00263574-01
EINECS 261-655-8
DIFLUCORTOLONE VALERATE [WHO-DD]
BRN 2030579
CS-0021944
[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate
Diflucortolonvalerianat
NCGC00183100-01
Diflucortolone valerate impurity standard
CHEBI:31484
UNII-1A63Z067C8
Diflucortolone valerate (JP17)
6-alpha,9-Difluoro-11-beta-hydroxy-21-valeryloxy-16-alpha-methyl-1,4-pregnadiene-3,20-dione
s5414
Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11-hydroxy-16-methyl-21-((1-oxopentyl)oxy)-, (6-alpha,11-beta,16-alpha)-
Difluocortolone valerianate
Diflucortolone valerate Assay Standard
diflucortolone valerate
Nerisone
Difluocortolone Valerate

MDL Number

MFCD00468095

FAQ

What regulatory guidelines apply to Diflucortolone 21-Valerate (CAS: 59198-70-8)?

Diflucortolone 21-Valerate (CAS: 59198-70-8) falls under several regulatory guidelines, including GHS classification for its physical and health hazards, REACH regulations for its use in the EU, and FDA/EPA requirements for its manufacture and distribution. Compliance with these regulations ensures safe handling, storage, and disposal of the compound.

Are there alternatives to Diflucortolone 21-Valerate (CAS: 59198-70-8) in synthesis?

Alternative reagents such as betamethasone valerate or triamcinolone acetonide valerate can be used as substitutes in synthesis processes for Diflucortolone 21-Valerate (CAS: 59198-70-8). These alternatives offer similar anti-inflammatory effects and can be chosen based on specific chemical and biological requirements.

What is the market or research trend for Diflucortolone 21-Valerate (CAS: 59198-70-8)?

The market trend for Diflucortolone 21-Valerate (CAS: 59198-70-8) reflects a growing interest in topical corticosteroids for skin diseases. Research is focusing on optimizing its efficacy and safety, as well as exploring its potential in other therapeutic areas. Market demand is driven by increasing patient needs and advancements in dermatological treatments.

How should waste containing Diflucortolone 21-Valerate (CAS: 59198-70-8) be handled?

Waste containing Diflucortolone 21-Valerate (CAS: 59198-70-8) should be collected and disposed of in accordance with local hazardous waste regulations. Proper waste management includes the use of appropriate collection containers, ensuring no cross-contamination, and following safe incineration or professional waste disposal methods to prevent environmental pollution and ensure worker safety.