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CHEBI:53776 - alclometasone

ChEBI IDCHEBI:53776
ChEBI Namealclometasone
Stars
DefinitionA prednisolone compound having an α-chloro substituent at the 7-position and an α-methyl substituent at the 16-position.
Last Modified6 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC22H29ClO5
Net Charge0
Average Mass408.922
Monoisotopic Mass408.17035
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@@]21C
InChIInChI=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
InChIKeyFJXOGVLKCZQRDN-PHCHRAKRSA-N
Wikipedia
Roles Classification
Biological Role:
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.
Applications:
antipruritic drug  A drug, usually applied topically, that relieves pruritus (itching).
anti-inflammatory drug  A substance that reduces or suppresses inflammation.
ChEBI Ontology
Outgoing Relation(s)
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
alclometasoneKEGG DRUG
Synonyms  Source
AclometasoneChemIDplus
7α-Chloro-16α-methylprednisoloneChemIDplus
Manual XrefsDatabases
D07116KEGG DRUG
DB00240DrugBank
US4076708Patent
US4124707Patent
AlclometasoneWikipedia
Registry NumbersSources
Beilstein:6439798Beilstein
CAS:67452-97-5KEGG DRUG
CAS:67452-97-5ChemIDplus