Fluocinolone - Moligand™, ≥97% , CAS No.807-38-5

CAS: 807-38-5 Cat. No.: F342125 Formule: C₂₁H₂₆F₂O₆ Poids moléculaire: 412.42 Numéro CE: 212-362-9

GRADE & PURITY Moligand™, ≥97%

Synonyms

HY-136642 | UUOUOERPONYGOS-CLCRDYEYSA-N | UNII-CT1IX58L9S | 6-alpha,9-alpha-Difluoro-11-beta,16-alpha,17-alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione | CHEBI:5108 | EINECS 212-362-9 | Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,16,17,21-tetrahydroxy-

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Vue d’ensemble

Fluocinolone, a corticosteroid, is used to alleviate redness, itching, swelling, and other discomforts caused by skin conditions.

Specifications

Synonymes

HY-136642 | UUOUOERPONYGOS-CLCRDYEYSA-N | UNII-CT1IX58L9S | 6-alpha,9-alpha-Difluoro-11-beta,16-alpha,17-alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione | CHEBI:5108 | EINECS 212-362-9 | Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,16,17,21-tetrahydroxy-

Spécifications et pureté

Moligand™, ≥97%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Pureté

≥97%

Noms et identifiants

Pubchem Sid

528770515

Sourires canoniques

CC12CC(C3(C(C1CC(C2(C(=O)CO)O)O)CC(C4=CC(=O)C=CC43C)F)F)O

IUPAC Name

(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

InChIKey

UUOUOERPONYGOS-CLCRDYEYSA-N

INCHI

1S/C21H26F2O6/c1-18-4-3-10(25)5-13(18)14(22)6-12-11-7-15(26)21(29,17(28)9-24)19(11,2)8-16(27)20(12,18)23/h3-5,11-12,14-16,24,26-27,29H,6-9H2,1-2H3/t11-,12-,14-,15+,16-,18-,19-,20-,21-/m0/s1

Isomères SMILES

C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O

RTECS

TU3830800

Poids moléculaire

412.42

Reaxy-Rn

38321277

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38321277&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Hydroxysteroids
• Intermediate Tree Nodes: Not available
• Direct Parent: 21-hydroxysteroids
• Alternative Parents: Gluco/mineralocorticoids, progestogins and derivatives 20-oxosteroids 11-beta-hydroxysteroids 16-alpha-hydroxysteroids 17-hydroxysteroids Halogenated steroids 3-oxo delta-1,4-steroids Delta-1,4-steroids Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Fluorohydrins Cyclic ketones Cyclic alcohols and derivatives Polyols Alkyl fluorides Hydrocarbon derivatives Organic oxides Organofluorides Primary alcohols
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - 21-hydroxysteroid - Pregnane-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 9-halo-steroid - 17-hydroxysteroid - 16-hydroxysteroid - 11-hydroxysteroid - 16-alpha-hydroxysteroid - 11-beta-hydroxysteroid - 6-halo-steroid - Halo-steroid - Oxosteroid - Delta-1,4-steroid - Alpha-hydroxy ketone - Cyclic alcohol - Tertiary alcohol - Fluorohydrin - Cyclic ketone - Secondary alcohol - Halohydrin - Ketone - Polyol - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Carbonyl group - Organooxygen compound - Alkyl halide - Organohalogen compound - Alcohol - Primary alcohol - Alkyl fluoride - Aliphatic homopolycyclic compound
• Description: 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: Pregnane and derivatives [Fig]

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

Cibles associées (humaines)

Homo sapiens (32628 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO, and methanol.
• Sensibilité: Light sensitive
• Indice de réfraction: n20D1.60 (Predicted)
• Point d'ébullition (°C): ~589.0° C at 760 mmHg (Predicted)
• Point de fusion (°C): 247-249° C (dec.)
• Poids moléculaire: 412.400 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 412.17 Da
• Monoisotopic Mass: 412.17 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 841.000
• 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