Triamcinolone Hexacetonide - ≥98% , Glucocorticoid receptor agonist, CAS No.5611-51-8, Glucocorticoid receptor agonist

CAS: 5611-51-8 Cat. No.: T346633 Formula: C₃₀H₄₁FO₇ Molecular Weight: 532.64 EC Number: 227-031-4 PubChem CID: 21826

GRADE & PURITY ≥98%

Synonyms

Hexacetonido de triancinolona (INN-Spanish) | Q1593246 | TRIAMCINOLONE HEXACETONIDE [USAN] | TRIAMCINOLONE HEXACETONIDE [VANDF] | EINECS 227-031-4 | UNII-I7GT1U99Y9 | 5-19-06-00569 (Beilstein Handbook Reference) | Hexatrione | Pregna-1,4-diene-3,20-dione,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Hexacetonido de triancinolona (INN-Spanish) | Q1593246 | TRIAMCINOLONE HEXACETONIDE [USAN] | TRIAMCINOLONE HEXACETONIDE [VANDF] | EINECS 227-031-4 | UNII-I7GT1U99Y9 | 5-19-06-00569 (Beilstein Handbook Reference) | Hexatrione | Pregna-1,4-diene-3,20-dione,

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Triamcinolone hexacetonide is a commonly used long-acting steroids in treatment of subacute and chronic inflammatory joint diseases.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

AGONIST

Mechanism of action

Glucocorticoid receptor agonist

Purity

≥98%

Product Properties

ALogP

4.8

Names and Identifiers

Canonical Smiles

CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)COC(=O)CC(C)(C)C)C)O)F)C)C

IUPAC Name

[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3,3-dimethylbutanoate

InChIKey

TZIZWYVVGLXXFV-FLRHRWPCSA-N

INCHI

1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1

Isomeric SMILES

C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)COC(=O)CC(C)(C)C)CCC5=CC(=O)C=C[C@@]53C)F)O

PubChem CID

21826

Molecular Weight

532.64

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 3-oxo delta-1,4-steroids Halogenated steroids Delta-1,4-steroids Alpha-acyloxy ketones Ketals 1,3-dioxolanes Fluorohydrins Cyclic ketones Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxides Alkyl fluorides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 9-halo-steroid - Halo-steroid - Hydroxysteroid - Oxosteroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - Delta-1,4-steroid - Alpha-acyloxy ketone - Ketal - Cyclic alcohol - Meta-dioxolane - Secondary alcohol - Cyclic ketone - Carboxylic acid ester - Fluorohydrin - Halohydrin - Ketone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Organofluoride - Organic oxygen compound - Organooxygen compound - Carbonyl group - Alkyl fluoride - Alkyl halide - Organic oxide - Alcohol - Hydrocarbon derivative - Organohalogen compound - Aliphatic heteropolycyclic 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: corticosteroid hormone

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 532.600 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 532.284 Da
• Monoisotopic Mass: 532.284 Da
• Topological Polar Surface Area: 99.100 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 1130.000
• 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