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Fluticasone propionate Impurity 12

CAT: 0572-TRC-F601820-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F601820-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22593-10-8
Hazard Statement
No Data Available
Smiles
O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(OC(=O)CC)(C(=O)CO)C4(C)CC(O)C32F)C
Molecular Formula
C25H32F2O6
Molecular Weight
466.52

Chemical Information

Fluticasone propionate Impurity 12
CAS Number22593-10-8
PubChem CID12850361
IUPAC Name[6,9-difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
Molecular FormulaC25H32F2O6
Molecular Weight466.5
XLogP2.2
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity961
SMILES
CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)CO
InChI
InChI=1S/C25H32F2O6/c1-5-21(32)33-25(20(31)12-28)13(2)8-15-16-10-18(26)17-9-14(29)6-7-22(17,3)24(16,27)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,28,30H,5,8,10-12H2,1-4H3
InChIKey
FZOAFNCDIHMEJL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fluticasone propionate Impurity 12
CAS: 22593-10-8
CID: 12850361
Formula: C25H32F2O6
MW: 466.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.5
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass466.21669506
Monoisotopic Mass466.21669506
Topological Polar Surface Area101 Ų
Heavy Atom Count33
Formal Charge0
Complexity961
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count9
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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