Dexamethasone 21-Mesylate - ≥95% , CAS No.2265-22-7

CAS: 2265-22-7 Cat. No.: D769780 Molecular Weight: 470.55 EC Number: 977-153-3 PubChem CID: 63041

GRADE & PURITY ≥95%

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Dexamethasone 21-Mesylate is a derivative of Dexamethasone, a glucocorticoid used as an anti-inflammatory agent.

Specifications

Specifications & Purity

≥95%

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COS(=O)(=O)C)O)C)O)F)C
• IUPAC Name: [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] methanesulfonate
• InChIKey: ATNWRUJPJUBMHC-HOGMHMTRSA-N
• INCHI: 1S/C23H31FO7S/c1-13-9-17-16-6-5-14-10-15(25)7-8-20(14,2)22(16,24)18(26)11-21(17,3)23(13,28)19(27)12-31-32(4,29)30/h7-8,10,13,16-18,26,28H,5-6,9,11-12H2,1-4H3/t13-,16+,17+,18+,20+,21+,22+,23+/m1/s1
• Isomeric 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)COS(=O)(=O)C)O)C)O)F)C
• PubChem CID: 63041
• Molecular Weight: 470.55

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Steroids and steroid derivatives
      • Subclass Pregnane steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Pregnane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Gluco/mineralocorticoids, progestogins and derivatives
• Alternative Parents: 20-oxosteroids 11-beta-hydroxysteroids 17-hydroxysteroids 3-oxo delta-1,4-steroids Halogenated steroids Delta-1,4-steroids Sulfonic acid esters Organosulfonic acid esters Sulfonyls Alpha-hydroxy ketones Tertiary alcohols Methanesulfonates Fluorohydrins Cyclic ketones Cyclic alcohols and derivatives Secondary alcohols Hydrocarbon derivatives Organofluorides Alkyl fluorides Organic oxides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 17-hydroxysteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - 9-halo-steroid - Halo-steroid - Hydroxysteroid - Oxosteroid - Delta-1,4-steroid - Organosulfonic acid ester - Sulfonic acid ester - Organic sulfonic acid or derivatives - Alpha-hydroxy ketone - Cyclic alcohol - Tertiary alcohol - Sulfonyl - Methanesulfonate - Organosulfonic acid or derivatives - Ketone - Secondary alcohol - Halohydrin - Fluorohydrin - Cyclic ketone - Organic oxide - Alkyl fluoride - Hydrocarbon derivative - Alcohol - Carbonyl group - Alkyl halide - Organohalogen compound - Organofluoride - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
• 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

Chemical and Physical Properties

• Molecular Weight: 470.600 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 470.177 Da
• Monoisotopic Mass: 470.177 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 1030.000
• 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