Triamcinolone Acetonide Acetate - ≥99% , CAS No.3870-07-3

CAS: 3870-07-3 Cat. No.: T137741 Molecular Weight: 476.54 EC Number: 223-388-5 PubChem CID: 15482000

GRADE & PURITY ≥99%

Synonyms

Triamcinolone acetonide 21-acetate 100 microg/mL in Acetonitrile | 576QLL2I1Z | PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE, 21-ACETATE | 2-((6AS,6bR,7S,8aS,8bS,11aR,12aS,12bS)-6b-fluoro-7

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Triamcinolone acetonide 21-acetate 100 microg/mL in Acetonitrile | 576QLL2I1Z | PREGNA-1, 4-DIENE-3, 20-DIONE, 9-FLUORO-11.BETA., 16.ALPHA., 17, 21-TETRAHYDROXY-, CYCLIC 16, 17-ACETAL WITH ACETONE, 21-ACETATE | 2-((6AS, 6bR, 7S, 8aS, 8bS, 11aR, 12aS, 12bS)-6b-fluoro-7

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Cell-permeable glucocorticoid. Downregulates VEGF mRNA expression in human retinal pigment epithelial cells with low cytotoxicity.

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504767867
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767867
• Canonical Smiles: CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CCC5=CC(=O)C=CC54C)F)O)C)OC(O2)(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] acetate
• InChIKey: VOBDXTSTTMAKHK-VHDCPBDGSA-N
• INCHI: 1S/C26H33FO7/c1-14(28)32-13-20(31)26-21(33-22(2,3)34-26)11-18-17-7-6-15-10-16(29)8-9-23(15,4)25(17,27)19(30)12-24(18,26)5/h8-10,17-19,21,30H,6-7,11-13H2,1-5H3/t17-,18-,19-,21+,23-,24-,25-,26+/m0/s1
• Isomeric SMILES: CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)F)O)C)OC(O2)(C)C
• PubChem CID: 15482000
• Molecular Weight: 476.54

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: 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: 476.500 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 476.221 Da
• Monoisotopic Mass: 476.221 Da
• Topological Polar Surface Area: 99.100 Ų
• Heavy Atom Count: 34
• 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