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Triamcinolone hexacetonide (Standard)

CAT: 0804-HY-U00103RSize: 1 EachDry Ice: NoHazardous: No
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Description
Triamcinolone hexacetonide (Standard) is the analytical standard of Triamcinolone hexacetonide. This product is intended for research and analytical applications. Triamcinolone hexacetonide is a commonly used long-acting steroids in treatment of subacute and chronic inflammatory joint diseases.
CAS Number
5611-51-8
UNSPSC
12352005
Target
Glucocorticoid Receptor; Reference Standards
Type
Reference Standards
Related Pathways
Immunology/Inflammation; Others; Vitamin D Related/Nuclear Receptor
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/triamcinolone-hexacetonide-standard.html
Smiles
O=C([C@]([C@@]1([H])C[C@@]2([H])[C@@](CCC3=CC4=O)([H])[C@@](F)([C@]3(C=C4)C)[C@@H](O)C5)(OC(C)(C)O1)[C@]25C)COC(CC(C)(C)C)=O
Molecular Formula
C30H41FO7
Molecular Weight
532.64
References & Citations
[1]Williams JM, et al. Triamcinolone hexacetonide protects against fibrillation and osteophyte formation following chemically induced articular cartilage damage. Arthritis Rheum. 1985 Nov;28 (11) :1267-74.|[2]Abd-El-Barr MM, et al. Safety and pharmokinetics of triamcinolone hexacetonide in rabbit eyes. J Ocul Pharmacol Ther. 2008 Apr;24 (2) :197-205.|[3]Yates JM, et al. The effect of triamcinolone hexacetonide on the spontaneous and mechanically-induced ectopic discharge following lingual nerve injury in the ferret. Pain. 2004 Oct;111 (3) :261-9.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Triamcinolone Hexacetonide

Triamcinolone hexacetonide is a corticosteroid hormone.

CAS Number5611-51-8
PubChem CID21826
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
Molecular FormulaC30H41FO7
Molecular Weight532.6
XLogP4.8
Topological Polar Surface Area99.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity1130
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
InChI
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
InChIKey
TZIZWYVVGLXXFV-FLRHRWPCSA-N
Chemical Structure
2D Structure
2D structure of Triamcinolone Hexacetonide
CAS: 5611-51-8
CID: 21826
Formula: C30H41FO7
MW: 532.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.6
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass532.28363180
Monoisotopic Mass532.28363180
Topological Polar Surface Area99.1 Ų
Heavy Atom Count38
Formal Charge0
Complexity1130
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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