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Clobetasone 17-Propionate

CAT: 0013-GTR19261453-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19261453-01Size:10 mg
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Description
Clobetasone 17-Propionate (Clobetasone 17-Propionate) is a corticosteroid. Formulations containing clobetasone propionate are utilized for the treatment of conditions such as eczema, psoriasis, and lupus.
CAS Number
25122-56-9
Field of Research
Metabolism Research
Smiles
O (C (CC) =O) [C@@]1 (C (CCl) =O) [C@]2 (C) [C@@] (C[C@@H]1C) ([C@]3 ([C@] (F) (C (=O) C2) [C@]4 (C) C (CC3) =CC (=O) C=C4) [H]) [H]
Molecular Formula
C25H30ClFO5
Molecular Weight
464.95
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Clobetasone 17-Propionate
CAS Number25122-56-9
PubChem CID9981938
IUPAC Name[(8S,9R,10S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-10,13,16-trimethyl-3,11-dioxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate
Molecular FormulaC25H30ClFO5
Molecular Weight465.0
XLogP3.5
Topological Polar Surface Area77.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity971
SMILES
CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(CC(=O)[C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)C)C)C(=O)CCl
InChI
InChI=1S/C25H30ClFO5/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/h8-9,11,14,17-18H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,22-,23-,24-,25-/m0/s1
InChIKey
VAUBWHIQMRKGBN-BHHHYXKXSA-N
Chemical Structure
2D Structure
2D structure of Clobetasone 17-Propionate
CAS: 25122-56-9
CID: 9981938
Formula: C25H30ClFO5
MW: 465.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.0
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass464.1765799
Monoisotopic Mass464.1765799
Topological Polar Surface Area77.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity971
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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