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Halobetasol

CAT: 0013-GTR19231080-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231080-02Size:5 mg
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Description
Halobetasol propionate is a potent synthetic corticosteroid employed in research models of severe, localized psoriasis. Its mechanisms of action and efficacy are studied in both in vitro assays and in vivo animal models of inflammatory skin disease.
CAS Number
98651-66-2
Field of Research
Metabolism Research
Smiles
F[C@@]12[C@] ([C@]3 ([C@] (C) (C[C@@H]1O) [C@] (C (CCl) =O) (O) [C@@H] (C) C3) [H]) (C[C@H] (F) C=4[C@]2 (C) C=CC (=O) C4) [H]
Molecular Formula
C22H27ClF2O4
Molecular Weight
428.9
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Halobetasol

Halobetasol is a corticosteroid hormone.

CAS Number98651-66-2
PubChem CID5311167
IUPAC Name(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC22H27ClF2O4
Molecular Weight428.9
XLogP2.7
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity843
SMILES
C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)O)C)O)F)C)F
InChI
InChI=1S/C22H27ClF2O4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1
InChIKey
LEHFPXVYPMWYQD-XHIJKXOTSA-N
Chemical Structure
2D Structure
2D structure of Halobetasol
CAS: 98651-66-2
CID: 5311167
Formula: C22H27ClF2O4
MW: 428.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.9
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass428.1565934
Monoisotopic Mass428.1565934
Topological Polar Surface Area74.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity843
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

Alternative Products

CatalogName
TRC-H102290-100MGHalobetasol
FH23728Halobetasol propionate
TRC-H102292-50MGHalobetasol-d3
HY-113783RHalobetasol (Standard)

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