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Fluocinolone Acetonide EP Impurity D

CAT: 1596-AR-F01694-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F01694-01Size:25 Units
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CAS Number
13242-30-3
Synonyms
2- ((2S,6aS,6bR,7S,8aS,8bS,11aR,12aS,12bS) -2,6b-difluoro-7-hydroxy-6a,8a,10,10-tetramethyl-4-oxo-2,4,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-8b-yl) -2-oxoacetaldehyde; (6?,11?,16?) -6,9-Difluoro-11-hydroxy-16,17-[ (1-methylethylidene) bis (oxy) ]-3,20-dioxopregna-1,4-dien-21-al; 6?,9?-Difluoro-11?,16?,17?-trihydroxypregna-1,4-diene-3,20-dione-21-al-16,17-acetonide; 6?,9-Difluoro-11?,16?,17-trihydroxy-3,20-dioxopregna-1,4-dien-21-al Cyclic 16,17-acetal with Acetone; Fluocinolone Acetonide-21-aldehyde
Molecular Formula
C24H28F2O6
Molecular Weight
450.48
API Name
Fluocinolone Acetonide

Chemical Information

Fluocinolone acetonide 21-aldehyde
CAS Number13242-30-3
PubChem CID22805752
IUPAC Name2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-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-oxoacetaldehyde
Molecular FormulaC24H28F2O6
Molecular Weight450.5
XLogP2.8
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity989
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=O)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)F)O
InChI
InChI=1S/C24H28F2O6/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/h5-7,11,13-14,16-17,19,29H,8-10H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1
InChIKey
UGULWMUJNRGHHA-VSXGLTOVSA-N
Chemical Structure
2D Structure
2D structure of Fluocinolone acetonide 21-aldehyde
CAS: 13242-30-3
CID: 22805752
Formula: C24H28F2O6
MW: 450.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.5
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass450.18539493
Monoisotopic Mass450.18539493
Topological Polar Surface Area89.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity989
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

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