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Clocortolone

CAT: 1299-RM-C201503-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C201503-02Size:25 mg
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CAS Number
4828-27-7
Synonyms
(6S,8S,9R,10S,11S,13S,14S,16R,17S) -9-chloro-6-fluoro-11-hydroxy-17- (2-hydroxyacetyl) -10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
Molecular Formula
C22H28ClFO4
Molecular Weight
410.91
Target Alternative Name
Clocortolone
Product Name Synonym
(6S,8S,9R,10S,11S,13S,14S,16R,17S) -9-chloro-6-fluoro-11-hydroxy-17- (2-hydroxyacetyl) -10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

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
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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
TRC-C583820-10MGClocortolone Acetate
TRC-C583802-100MGClocortolone-d3

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