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Fluprednidene Acetate Dermoxy Impurity

CAT: 1596-AR-F10490-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F10490-01Size:10 Units
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CAS Number
1524-34-1
Synonyms
2- ((6aS,6bR,7S,8aS,8bS,9aR) -6b-fluoro-7-hydroxy-6a,8a,9a-trimethyl-4-oxo-1,2,4,6a,6b,7,8,8a,9a,10,10a,10b-dodecahydro-8bH-naphtho[2',1':4,5]indeno[1,2-b]oxiren-8b-yl) -2-oxoethyl acetate
Molecular Formula
C24H29FO6
Molecular Weight
432.49
API Name
Fluprednidene acetate

Chemical Information

Fluprednidene Acetate Dermoxy
CAS Number1524-34-1
PubChem CID169440576
IUPAC Name[2-[(1S,2S,4R,6S,7S,9S,10R,11S)-10-fluoro-9-hydroxy-4,7,11-trimethyl-14-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadeca-12,15-dien-6-yl]-2-oxoethyl] acetate
Molecular FormulaC24H29FO6
Molecular Weight432.5
XLogP2.7
Topological Polar Surface Area93.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity971
SMILES
CC(=O)OCC(=O)[C@]12[C@]3(C[C@@H]([C@]4([C@H]([C@@H]3C[C@]1(O2)C)CCC5=CC(=O)C=C[C@@]54C)F)O)C
InChI
InChI=1S/C24H29FO6/c1-13(26)30-12-19(29)24-21(3)11-18(28)23(25)16(17(21)10-22(24,4)31-24)6-5-14-9-15(27)7-8-20(14,23)2/h7-9,16-18,28H,5-6,10-12H2,1-4H3/t16-,17-,18-,20-,21-,22+,23-,24-/m0/s1
InChIKey
AGNWKTSWHKVIGG-SAJDGEJFSA-N
Chemical Structure
2D Structure
2D structure of Fluprednidene Acetate Dermoxy
CAS: 1524-34-1
CID: 169440576
Formula: C24H29FO6
MW: 432.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.5
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass432.19481680
Monoisotopic Mass432.19481680
Topological Polar Surface Area93.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity971
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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