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Clocortolone

CAT: 0931-T21374-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T21374-01Size:25 mg
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CAS Number
4828-27-7
Target
Others, Drug Metabolite
Related Pathways
Others, Metabolism
Bioactivity
Clocortolone is a Corticosteroid Hormone Receptor Agonist. It is used in the form of an ester, clocortolone pivalate, and applied as a cream. clocortolone pivalate is used to treat dermatitis and is considered a medium-strength corticosteroid.
Smiles
Cl[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@@H](C(CO)=O)[C@H](C)C3)[H])(C[C@H](F)C=4[C@]2(C)C=CC(=O)C4)[H]
Molecular Formula
C22H28ClFO4
Molecular Weight
410.91
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Clocortolone

Clocortolone is 16alpha-Methylpregna-1,4-diene-3,20-dione bearing hydroxy substituents at the 11beta and 21 positions, fluorine at position 6 and chlorine at position 9. A medium potency corticosteroid, it is used as its 21-O-pivalate or caproate ester for the relief of inflammatory and pruritic (itching) skin disorders. It has a role as an anti-inflammatory drug and an antipruritic drug. It is a primary alpha-hydroxy ketone, a glucocorticoid, a 21-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a fluorinated steroid, a 3-oxo-Delta(1),Delta(4)-steroid and a chlorinated steroid.

CAS Number4828-27-7
PubChem CID5311052
IUPAC Name(6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-chloro-6-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC22H28ClFO4
Molecular Weight410.9
XLogP2.5
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity793
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@H]1C(=O)CO)C)O)Cl)C)F
InChI
InChI=1S/C22H28ClFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-21(15,3)22(14,23)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19-,20+,21+,22+/m1/s1
InChIKey
YMTMADLUXIRMGX-RFPWEZLHSA-N
Chemical Structure
2D Structure
2D structure of Clocortolone
CAS: 4828-27-7
CID: 5311052
Formula: C22H28ClFO4
MW: 410.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.9
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass410.1660152
Monoisotopic Mass410.1660152
Topological Polar Surface Area74.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity793
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
268631-01Clocortolone
FC45165-01Clocortolone caproate
FC20492Clocortolone pivalate
444883-01Clocortolone Acetate
TRC-C583802-100MGClocortolone-d3

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