CHEBI:53776 - alclometasone

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ChEBI Name alclometasone
ChEBI ID CHEBI:53776
Definition A prednisolone compound having an α-chloro substituent at the 7-position and an α-methyl substituent at the 16-position.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C22H29ClO5
Net Charge 0
Average Mass 408.91600
Monoisotopic Mass 408.17035
InChI InChI=1S/C22H29ClO5/c1-11-6-14-18-15(23)8-12-7-13(25)4-5-20(12,2)19(18)16(26)9-21(14,3)22(11,28)17(27)10-24/h4-5,7,11,14-16,18-19,24,26,28H,6,8-10H2,1-3H3/t11-,14+,15-,16+,18-,19+,20+,21+,22+/m1/s1
InChIKey FJXOGVLKCZQRDN-PHCHRAKRSA-N
SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=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): antipruritic drug
A drug, usually applied topically, that relieves pruritus (itching).
anti-inflammatory drug
A substance that reduces or suppresses inflammation.
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ChEBI Ontology
Outgoing alclometasone (CHEBI:53776) has functional parent prednisolone (CHEBI:8378)
alclometasone (CHEBI:53776) has role anti-inflammatory drug (CHEBI:35472)
alclometasone (CHEBI:53776) has role antipruritic drug (CHEBI:59683)
alclometasone (CHEBI:53776) is a 11β-hydroxy steroid (CHEBI:35346)
alclometasone (CHEBI:53776) is a 17α-hydroxy steroid (CHEBI:35342)
alclometasone (CHEBI:53776) is a 20-oxo steroid (CHEBI:36885)
alclometasone (CHEBI:53776) is a 21-hydroxy steroid (CHEBI:35344)
alclometasone (CHEBI:53776) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
alclometasone (CHEBI:53776) is a chlorinated steroid (CHEBI:77175)
alclometasone (CHEBI:53776) is a glucocorticoid (CHEBI:24261)
alclometasone (CHEBI:53776) is a primary α-hydroxy ketone (CHEBI:139590)
alclometasone (CHEBI:53776) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
(7α,11β,16α)-7-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
INN Source
alclometasone KEGG DRUG
Synonyms Sources
7α-Chloro-16α-methylprednisolone ChemIDplus
Aclometasone ChemIDplus
Manual Xrefs Databases
Alclometasone Wikipedia
D07116 KEGG DRUG
DB00240 DrugBank
US4076708 Patent
US4124707 Patent
View more database links
Registry Numbers Types Sources
6439798 Beilstein Registry Number Beilstein
67452-97-5 CAS Registry Number ChemIDplus
67452-97-5 CAS Registry Number KEGG DRUG
Last Modified
06 February 2018