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Clobetasol Propionate

CAT: 0127-PC108784-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-PC108784-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
25122-46-7
Synonyms
[ (8S,9R,10S,11S,13S,14S,16S,17R) -17- (2-chloroacetyl) -9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
MDL Number
MFCD00058499
Purity
99%
Smiles
CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CCl
Storage Conditions
Store at 2-8°C

Chemical Information

Clobetasol Propionate

Clobetasol Propionate can cause developmental toxicity and female reproductive toxicity according to state or federal government labeling requirements.

CAS Number25122-46-7
PubChem CID32798
IUPAC Name[(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
Molecular FormulaC25H32ClFO5
Molecular Weight467.0
XLogP3.8
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity929
SMILES
CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CCl
InChI
InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1
InChIKey
CBGUOGMQLZIXBE-XGQKBEPLSA-N
Chemical Structure
2D Structure
2D structure of Clobetasol Propionate
CAS: 25122-46-7
CID: 32798
Formula: C25H32ClFO5
MW: 467.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.0
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass466.1922300
Monoisotopic Mass466.1922300
Topological Polar Surface Area80.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity929
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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