Dexamethasone 17-Propionate - ≥95% , CAS No.15423-89-9

CAS: 15423-89-9 Cat. No.: D336494 Peso molecular: 448.52 PubChem CID: 63045

GRADE & PURITY ≥95%

Synonyms

Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,17,21-trihydroxy-16alpha-methyl-, 17-propionate | [(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Dexamethasone 17-Propionate is a Dexamethasone Dipropionate metabolite.

Specifications

Sinónimos

Pregna-1, 4-diene-3, 20-dione, 9-fluoro-11beta, 17, 21-trihydroxy-16alpha-methyl-, 17-propionate | [(8S, 9R, 10S, 11S, 13S, 14S, 16R, 17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10, 13, 16-trimethyl-3-oxo-6, 7, 8, 11, 12, 14, 15, 16-octahydrocyclopenta[a]phenanthren-17-yl]

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504753904
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753904
• Sonrisas canónicas: CCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CO
• IUPAC Name: [(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
• InChIKey: ITYMTTQVNYAJAA-OCUNRLNVSA-N
• INCHI: 1S/C25H33FO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3/t14-,17+,18+,19+,22+,23+,24+,25+/m1/s1
• Isómeros SMILES: CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO
• PubChem CID: 63045
• Peso molecular: 448.52

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Hydroxysteroids
• Intermediate Tree Nodes: Not available
• Direct Parent: 21-hydroxysteroids
• Alternative Parents: Gluco/mineralocorticoids, progestogins and derivatives Steroid esters 20-oxosteroids 11-beta-hydroxysteroids 3-oxo delta-1,4-steroids Halogenated steroids Delta-1,4-steroids Alpha-acyloxy ketones Alpha-hydroxy ketones Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Cyclic ketones Fluorohydrins Monocarboxylic acids and derivatives Primary alcohols Organofluorides Alkyl fluorides Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - 21-hydroxysteroid - Pregnane-skeleton - Steroid ester - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Oxosteroid - 9-halo-steroid - Halo-steroid - Delta-1,4-steroid - Alpha-acyloxy ketone - Alpha-hydroxy ketone - Cyclic alcohol - Carboxylic acid ester - Cyclic ketone - Secondary alcohol - Fluorohydrin - Halohydrin - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary alcohol - Alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Alkyl fluoride - Organohalogen compound - Alkyl halide - Aliphatic homopolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Chloroform (Slightly), DMSO (Slightly)
• Punto de fusión (°C): 62-65°C
• Peso molecular: 448.500 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 448.226 Da
• Monoisotopic Mass: 448.226 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 925.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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