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Fluticasone propionate

CAT: 0063-12221161-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:0063-12221161-1gSize:1 g
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CAS Number
80474-14-2
Molecular Formula
C25H31F3O5S
Molecular Weight
500.57
Formulation
C25H31F3O5S

Chemical Information

Fluticasone Propionate

Fluticasone Propionate can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number80474-14-2
PubChem CID444036
IUPAC Name[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
Molecular FormulaC25H31F3O5S
Molecular Weight500.6
XLogP4
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity984
SMILES
CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCF
InChI
InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
InChIKey
WMWTYOKRWGGJOA-CENSZEJFSA-N
Chemical Structure
2D Structure
2D structure of Fluticasone Propionate
CAS: 80474-14-2
CID: 444036
Formula: C25H31F3O5S
MW: 500.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.6
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass500.18442974
Monoisotopic Mass500.18442974
Topological Polar Surface Area106 Ų
Heavy Atom Count34
Formal Charge0
Complexity984
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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