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 Number	4828-27-7
PubChem CID	5311052
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 Formula	C22H28ClFO4
Molecular Weight	410.9
XLogP	2.5
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	28
Formal Charge	0
Complexity	793

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

CAS: 4828-27-7

CID: 5311052

Formula: C22H28ClFO4

MW: 410.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	410.9
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	410.1660152
Monoisotopic Mass	410.1660152
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	793
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
268631-01	Clocortolone
FC45165-01	Clocortolone caproate
FC20492	Clocortolone pivalate
444883-01	Clocortolone Acetate
TRC-C583802-100MG	Clocortolone-d3

Clocortolone

Chemical Information

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