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Flumoxonide

CAT: 0931-T202793-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T202793-01Size:10 mg
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CAS Number
60135-22-0
Bioactivity
Flumoxonide, an acetal derivative, is a synthesized glucocorticosteroid used as an anti-inflammatory compound for topical application.
Smiles
C(C(OC)OC)(=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([C@@H](F)C4)=CC(=O)C=C5)[H])[H]
Molecular Formula
C26H34F2O7
Molecular Weight
496.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Flumoxonide
CAS Number60135-22-0
PubChem CID20055353
IUPAC Name(1S,2S,4R,8S,9S,11S,12R,13S,19S)-8-(2,2-dimethoxyacetyl)-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Molecular FormulaC26H34F2O7
Molecular Weight496.5
XLogP3
Topological Polar Surface Area91.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity1020
SMILES
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)C(OC)OC)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)F)O
InChI
InChI=1S/C26H34F2O7/c1-22(2)34-19-11-14-15-10-17(27)16-9-13(29)7-8-23(16,3)25(15,28)18(30)12-24(14,4)26(19,35-22)20(31)21(32-5)33-6/h7-9,14-15,17-19,21,30H,10-12H2,1-6H3/t14-,15-,17-,18-,19+,23-,24-,25-,26-/m0/s1
InChIKey
IUIYEHXOIMMQJY-NGXOUOCZSA-N
Chemical Structure
2D Structure
2D structure of Flumoxonide
CAS: 60135-22-0
CID: 20055353
Formula: C26H34F2O7
MW: 496.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.5
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass496.22725974
Monoisotopic Mass496.22725974
Topological Polar Surface Area91.3 Ų
Heavy Atom Count35
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19241739-01Flumoxonide

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