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δ14-Triamcinolone acetonide

CAT: 0013-GTR19192110-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192110-01Size:500 µg
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Description
Triamcinolone acetonide is a synthetic corticosteroid used in research models of neuropathic pain and steroid-induced glaucoma. It is also applied in studies of diabetic macular edema and cytokine modulation. The δ14-isomer is a known process-related impurity in its commercial preparations.
CAS Number
1260149-96-9
Field of Research
Pharmacology & Drug Discovery
Smiles
C (CO) (=O) [C@]12[C@]3 (C) C (=C[C@]1 (OC (C) (C) O2) [H]) [C@]4 ([C@] (F) ([C@@H] (O) C3) [C@]5 (C) C (CC4) =CC (=O) C=C5) [H]
Molecular Formula
C24H29FO6
Molecular Weight
432.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

delta14-Triamcinolone acetonide
CAS Number1260149-96-9
PubChem CID29976839
IUPAC Name(1S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-2,14,17-trien-16-one
Molecular FormulaC24H29FO6
Molecular Weight432.5
XLogP0.9
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count31
Formal Charge0
Complexity981
SMILES
C[C@]12C[C@@H]([C@]3([C@H](C1=C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O
InChI
InChI=1S/C24H29FO6/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/h7-10,15,17,19,26,28H,5-6,11-12H2,1-4H3/t15-,17-,19+,21-,22-,23-,24+/m0/s1
InChIKey
ZIASJPXEBODFKN-VZFRDGCYSA-N
Chemical Structure
2D Structure
2D structure of delta14-Triamcinolone acetonide
CAS: 1260149-96-9
CID: 29976839
Formula: C24H29FO6
MW: 432.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.5
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass432.19481680
Monoisotopic Mass432.19481680
Topological Polar Surface Area93.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity981
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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PC1008089-01?14-Triamcinolone acetonide
HY-Z8648-01Δ14-Triamcinolone acetonide
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