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Fluocinolone acetonide-13C3

CAT: 0804-HY-W777281-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W777281-01Size:1 mg
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Description
Fluocinolone acetonide-13C3 is the 13C-labeled Fluocinolone (Acetonide). Fluocinolone is a glucocorticoid glucocorticoid receptor agonist. Fluocinolone is effective in preventing both lipid accumulation and inflammation. Fluocinolone can promote the proliferation of DPCs and has the potential role in repairing injured pulp tissues. Fluocinolone can be used to study the prevention of chemotherapy-induced peripheral neuropathy caused by Paclitaxel (HY-B0015)[2][3][4].
CAS Number
1262192-25-5
UNSPSC
12352005
Target
Glucocorticoid Receptor; Isotope-Labeled Compounds; Wnt
Related Pathways
Immunology/Inflammation; Others; Stem Cell/Wnt; Vitamin D Related/Nuclear Receptor
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Endocrinology
Smiles
OCC([C@]12[C@@]3([C@@]([C@@]4([H])[C@]([C@H](C3)O)([C@@]5(C([C@H](C4)F)=CC(C=C5)=O)C)F)([H])C[C@@]1([H])O[13C]([13CH3])(O2)[13CH3])C)=O
Molecular Formula
C21 13C3H30F2O6
Molecular Weight
455.47
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

(1S,2S,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6,6-di((113C)methyl)-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
CAS Number1262192-25-5
PubChem CID163285333
IUPAC Name(1S,2S,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6,6-di((113C)methyl)-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Molecular FormulaC24H30F2O6
Molecular Weight455.5
XLogP2.5
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity960
SMILES
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC4[C@]2(O[13C](O4)([13CH3])[13CH3])C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)F)O
InChI
InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19?,21-,22-,23-,24+/m0/s1/i1+1,2+1,20+1
InChIKey
FEBLZLNTKCEFIT-HXEXQAOFSA-N
Chemical Structure
2D Structure
2D structure of (1S,2S,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6,6-di((113C)methyl)-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
CAS: 1262192-25-5
CID: 163285333
Formula: C24H30F2O6
MW: 455.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight455.5
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass455.21110950
Monoisotopic Mass455.21110950
Topological Polar Surface Area93.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity960
Isotope Atom Count3
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-B0415-01Fluocinolone (Acetonide)
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HY-B0636S1-01Triamcinolone acetonide-13C3
HY-136642-01Fluocinolone
HY-136642R-01Fluocinolone (Standard)
HY-B0636-01Triamcinolone acetonide
HY-N4050Heraclenol acetonide
HY-N3319Marmin acetonide
HY-77732-01Ticagrelor acetonide

Alternative Products

CatalogName
012125Fluocinolone Acetonide-13C3
317887Fluocinolone Acetonide
GTR19176195-01Fluocinolone (Acetonide)

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