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6beta-Fluocinolone Acetonide

CAT: 0572-TRC-F500490-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F500490-50MGSize:50 mg
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CAS Number
1361531-95-4
Synonyms
6beta-Fluocinolone Acetonide; Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6β,11β,16α)-; 6β,9-Difluoro-11β,21-dihydroxy-16α,17-(1-methylethylidenedioxy)pregna-1,4-diene-3,20-dione; 6-epi-Fluocinolone Acetonide
Hazard Statement
No Data Available
Smiles
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO
Molecular Formula
C24 H30 F2 O6
Molecular Weight
452.488
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
Shipping Conditions
Room Temperature

Chemical Information

Fluocinolone Acetonide EP Impurity J
CAS Number1361531-95-4
PubChem CID12897745
IUPAC Name(1S,2S,4R,8S,9S,11S,12R,13S,19R)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Molecular FormulaC24H30F2O6
Molecular Weight452.5
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]1C[C@@H]4[C@]2(OC(O4)(C)C)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
InChIKey
FEBLZLNTKCEFIT-PXGYRYRDSA-N
Chemical Structure
2D Structure
2D structure of Fluocinolone Acetonide EP Impurity J
CAS: 1361531-95-4
CID: 12897745
Formula: C24H30F2O6
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass452.20104500
Monoisotopic Mass452.20104500
Topological Polar Surface Area93.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity960
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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