Clocortolone Pivalate
[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-chloro-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate
Molecular Identity
Clocortolone Pivalate
[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-chloro-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate
PubChem CID: 5282493
Clocortolone pivalate is the 21-O-pivalate ester of clocortolone. It is used 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 glucocorticoid, an 11beta-hydroxy steroid, a 20-oxo steroid, a pivalate ester, a fluorinated steroid, a 3-oxo-Delta(1),Delta(4)-steroid and a chlorinated steroid. It is functionally related to a clocortolone.
2D Structure
Properties
C27H36ClFO5
Molecular Formula
495.00
Molecular Weight
g/mol
494.2235
Exact Mass
Da
4.5
XLogP
Drug-like (Lipinski: < 5)
80.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
982
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)COC(=O)C(C)(C)C)C)O)Cl)C)FIsomeric SMILES
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)COC(=O)C(C)(C)C)C)O)Cl)C)FSynonyms(20)
CLOCORTOLONE PIVALATE34097-16-0ClodermClocortolone 21-pivalateSH 863DTXSID0045460QBL8IZH14X9-Chloro-6alpha-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-pivalateSH-863DTXCID8025460CHEBI:595839-chloro-6alpha-fluoro-11beta-hydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl 2,2-dimethylpropanoatePregna-1,4-diene-3,20-dione, 9-chloro-21-(2,2-dimethyl-1-oxopropoxy)-6-fluoro-11-hydroxy-16-methyl-, (6alpha,11beta,16alpha)-clocortolone trimethylacetateRefChem:57257
Data from PubChem (NCBI)
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Trials and conditions connected to Clocortolone Pivalate
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