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Triamcinolone acetonide-d6

CAT: 0931-TMID-0248-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMID-0248-01Size:1 mg
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CAS Number
352431-33-5
Target
Glucocorticoid Receptor
Related Pathways
Endocrinology/Hormones
Bioactivity
Triamcinolone acetonide-d6 is a deuterated compound of Triamcinolone acetonide. Triamcinolone acetonide has a CAS number of 76-25-5. Triamcinolone acetonide is a Corticosteroid. The mechanism of action of triamcinolone acetonide is as a Corticosteroid Hormone Receptor Agonist. It is an anti-inflammatory glucocorticoid used topically in the treatment of various skin disorders. Intralesional, intramuscular, and intra-articular injections are also administered under certain conditions.
Smiles
C(CO)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(C([2H])([2H])[2H])(C([2H])([2H])[2H])O2)[H])([C@]4([C@](F)([C@@H](O)C3)[C@]5(C)C(CC4)=CC(=O)C=C5)[H])[H]
Molecular Formula
C24H25D6FO6
Molecular Weight
440.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Kenalog
CAS Number352431-33-5
PubChem CID121231051
IUPAC Name(4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6,6-bis(trideuteriomethyl)-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Molecular FormulaC24H31FO6
Molecular Weight440.5
XLogP2.5
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count31
Formal Charge0
Complexity925
SMILES
[2H]C([2H])([2H])C1(O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@@]5([C@]4([C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)F)C)C([2H])([2H])[2H]
InChI
InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15?,16?,17-,19+,21-,22-,23-,24+/m0/s1/i1D3,2D3
InChIKey
YNDXUCZADRHECN-YOWSACAVSA-N
Chemical Structure
2D Structure
2D structure of Kenalog
CAS: 352431-33-5
CID: 121231051
Formula: C24H31FO6
MW: 440.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.5
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass440.24812734
Monoisotopic Mass440.24812734
Topological Polar Surface Area93.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity925
Isotope Atom Count6
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-B0636S3-01Triamcinolone acetonide-d6
A8540-250Triamcinolone Acetonide

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