CHEBI:59583 - clocortolone pivalate

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ChEBI Name clocortolone pivalate
ChEBI ID CHEBI:59583
Definition The 21-O-pivalate ester of clocortolone. It is used for the relief of inflammatory and pruritic (itching) skin disorders.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H36ClFO5
Net Charge 0
Average Mass 495.02300
Monoisotopic Mass 494.22353
InChI InChI=1S/C27H36ClFO5/c1-14-9-16-17-11-19(29)18-10-15(30)7-8-26(18,6)27(17,28)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3/t14-,16+,17+,19+,21+,22-,25+,26+,27+/m1/s1
InChIKey SXYZQZLHAIHKKY-GSTUPEFVSA-N
SMILES [H][C@@]12C[C@@H](C)[C@H](C(=O)COC(=O)C(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
Roles Classification
Biological Role(s): hormone
Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
(via steroid hormone )
Application(s): anti-inflammatory drug
A substance that reduces or suppresses inflammation.
antipruritic drug
A drug, usually applied topically, that relieves pruritus (itching).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing clocortolone pivalate (CHEBI:59583) has functional parent clocortolone (CHEBI:59582)
clocortolone pivalate (CHEBI:59583) has role anti-inflammatory drug (CHEBI:35472)
clocortolone pivalate (CHEBI:59583) has role antipruritic drug (CHEBI:59683)
clocortolone pivalate (CHEBI:59583) is a 11β-hydroxy steroid (CHEBI:35346)
clocortolone pivalate (CHEBI:59583) is a 20-oxo steroid (CHEBI:36885)
clocortolone pivalate (CHEBI:59583) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
clocortolone pivalate (CHEBI:59583) is a chlorinated steroid (CHEBI:77175)
clocortolone pivalate (CHEBI:59583) is a fluorinated steroid (CHEBI:50830)
clocortolone pivalate (CHEBI:59583) is a glucocorticoid (CHEBI:24261)
clocortolone pivalate (CHEBI:59583) is a pivalate ester (CHEBI:50784)
IUPAC Name
9-chloro-6α-fluoro-11β-hydroxy-16α-methyl-3,20-dioxopregna-1,4-dien-21-yl 2,2-dimethylpropanoate
Synonyms Sources
9-chloro-6α-fluoro-11β,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione 21-pivalate ChemIDplus
clocortolone 21-pivalate ChemIDplus
Manual Xrefs Databases
4606 DrugCentral
D02287 KEGG DRUG
DB00838 DrugBank
View more database links
Registry Numbers Types Sources
34097-16-0 CAS Registry Number KEGG DRUG
34097-16-0 CAS Registry Number ChemIDplus
Last Modified
22 February 2017