Fluocortolone - ≥96% , CAS No.152-97-6

CAS: 152-97-6 Cat. No.: F337919 Summenformel: C₂₂H₂₉FO₄ Molekulargewicht: 376.46 Beilstein Registry Number: 3122594 EG-Nummer: 205-811-5 PubChem CID: 9053

GRADE & PURITY ≥96%

Synonyms

Fluocortolon | SH 742 | FLUOCORTOLONE | 65VXC1MH0J | Fluorocortolone | Pregna-1,4-diene-3,20-dione, 6-fluoro-11,21-dihydroxy-16-methyl-, (6alpha,11beta,16alpha)- | 6alpha-Fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione | Fluorcortolon

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Fluocortolone is an anti-inflammatory agent that effectively reduces plasma fibrinogen levels. Fluocortolone inhibits Mycobacterium butyricum-induced foot edema in a rat model of adjuvanted joint inflammation (3-12 mg/kg).

Specifications

Synonyme

Fluocortolon | SH 742 | FLUOCORTOLONE | 65VXC1MH0J | Fluorocortolone | Pregna-1,4-diene-3,20-dione, 6-fluoro-11,21-dihydroxy-16-methyl-, (6alpha,11beta,16alpha)- | 6alpha-Fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione | Fluorcortolon

Spezifikationen & Reinheit

≥96%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥96%

Produkteigenschaften

• pKa: pKa: 12.98 (Predicted)

Namen und Kennungen

• Kanonisches Lächeln: CC1CC2C3CC(C4=CC(=O)C=CC4(C3C(CC2(C1C(=O)CO)C)O)C)F
• IUPAC Name: (6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
• InChIKey: GAKMQHDJQHZUTJ-ULHLPKEOSA-N
• INCHI: 1S/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20-,21+,22+/m1/s1
• Isomere SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@H]1C(=O)CO)C)O)C)F
• RTECS: TU3832500
• PubChem CID: 9053
• Molekulargewicht: 376.46
• Beilstein: 3122594

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Steroids and steroid derivatives
      • Subclass Hydroxysteroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Steroids and steroid derivatives
• Subclass: Hydroxysteroids
• Intermediate Tree Nodes: Not available
• Direct Parent: 21-hydroxysteroids
• Alternative Parents: Gluco/mineralocorticoids, progestogins and derivatives 20-oxosteroids Halogenated steroids 3-oxo delta-1,4-steroids 11-beta-hydroxysteroids Delta-1,4-steroids Alpha-hydroxy ketones Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Primary alcohols Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - 21-hydroxysteroid - Pregnane-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Oxosteroid - 6-halo-steroid - Halo-steroid - Delta-1,4-steroid - Alpha-hydroxy ketone - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Ketone - Organooxygen compound - Primary alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organofluoride - Organohalogen compound - Alcohol - Aliphatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water (0.29 mg/ml at 37° C), chloroform, methanol, and dioxane.Chloroform (Slightly), Dioxane (Slightly), Methanol (Slightly)
• Brechungsindex: n20D1.57
• Siedepunkt (°C): 537.35° C
• Schmelzpunkt (°C): >175° C (dec.)
• Molekulargewicht: 376.500 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 376.205 Da
• Monoisotopic Mass: 376.205 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 743.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1