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Clobetasone butyrate

CAT: 0013-GTR19155765-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155765-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Clobetasone butyrate can be used to relieve corticosteroid-responsive dermatoses, including atopic dermatitis and psoriasis. Clobetasone butyrate is a synthetic glucocorticoid. It has topical anti-inflammatory activity especially in skin .
CAS Number
25122-57-0
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO:240 mg/mL (501.06 mM)
Smiles
C[C@@]1 (C2) [C@] (C (CCl) =O) (OC (CCC) =O) [C@@H] (C) C[C@@]1 ([H]) [C@]3 ([H]) CCC4=CC (C=C[C@]4 (C) [C@@]3 (F) C2=O) =O
Molecular Formula
C26H32ClFO5
Molecular Weight
478.98
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Clobetasone Butyrate

Clobetasone butyrate is an organic molecular entity.

CAS Number25122-57-0
PubChem CID71386
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] butanoate
Molecular FormulaC26H32ClFO5
Molecular Weight479.0
XLogP3.8
Topological Polar Surface Area77.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity987
SMILES
CCCC(=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/C26H32ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-19H,5-8,11,13-14H2,1-4H3/t15-,18-,19-,23-,24-,25-,26-/m0/s1
InChIKey
FBRAWBYQGRLCEK-AVVSTMBFSA-N
Chemical Structure
2D Structure
2D structure of Clobetasone Butyrate
CAS: 25122-57-0
CID: 71386
Formula: C26H32ClFO5
MW: 479.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.0
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass478.1922300
Monoisotopic Mass478.1922300
Topological Polar Surface Area77.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity987
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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