17β-Carboxy-17α-formyloxy Dexamethasone - ≥96% , CAS No.473273-04-0

CAS: 473273-04-0 Cat. No.: C336476 Peso molecular: 406.44 PubChem CID: 11729195

GRADE & PURITY ≥96%

Synonyms

9-Fluoro-17-(formyloxy)-11-hydroxy-16-methyl-3-oxo-(11beta,16alpha,17alpha)-androsta-1,4- diene-17-carboxylic Acid | A-Carboxy-17 | 17.BETA.-CARBOXY-17.ALPHA.-FORMYLOXY DEXAMETHASONE | ANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID, 9-FLUORO-17-(FORMYLOXY)-11-HYDR

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

17β-Carboxy-17α-formyloxy Dexamethasone is a metabolite of the nitric oxide synthase (NOS) inhibitor dexamethasone .

Specifications

Sinónimos

9-Fluoro-17-(formyloxy)-11-hydroxy-16-methyl-3-oxo-(11beta, 16alpha, 17alpha)-androsta-1, 4- diene-17-carboxylic Acid | A-Carboxy-17 | 17.BETA.-CARBOXY-17.ALPHA.-FORMYLOXY DEXAMETHASONE | ANDROSTA-1, 4-DIENE-17-CARBOXYLIC ACID, 9-FLUORO-17-(FORMYLOXY)-11-HYDR

Especificaciones y pureza

≥96%

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

≥96%

Nombres e identificadores

• Pubchem Sid: 504766677
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766677
• Sonrisas canónicas: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)O)OC=O)C)O)F)C
• IUPAC Name: (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-17-formyloxy-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid
• InChIKey: OXMUBZJVZDQGKL-CXSFZGCWSA-N
• INCHI: 1S/C22H27FO6/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,18(27)28)29-11-24/h6-7,9,11-12,15-17,26H,4-5,8,10H2,1-3H3,(H,27,28)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
• Isómeros SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)O)OC=O)C)O)F)C
• PubChem CID: 11729195
• Peso molecular: 406.44

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Steroid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Steroid esters
• Alternative Parents: Androgens and derivatives 11-beta-hydroxysteroids 3-oxo delta-1,4-steroids Halogenated steroids Delta-1,4-steroids Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Cyclic ketones Fluorohydrins Carboxylic acids Alkyl fluorides Organic oxides Hydrocarbon derivatives Organofluorides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: 20-hydroxysteroid - Steroid ester - Androgen-skeleton - Androstane-skeleton - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 9-halo-steroid - Halo-steroid - Hydroxysteroid - Oxosteroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - Delta-1,4-steroid - Dicarboxylic acid or derivatives - Cyclic alcohol - Ketone - Cyclic ketone - Secondary alcohol - Halohydrin - Carboxylic acid ester - Fluorohydrin - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Alcohol - Carbonyl group - Organohalogen compound - Organofluoride - Organooxygen compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic oxygen compound - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group.
• 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

• Sensibilidad: Hygroscopic
• Punto de ebullición (°C): 516.8-616.8° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 215-217ºC
• Peso molecular: 406.400 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 406.179 Da
• Monoisotopic Mass: 406.179 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 850.000
• 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