loading...| Preferred Name |
clobetasol |
|
| Synonyms |
21-chloro-9-fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione clobetasolum (11beta,16beta)-21-chloro-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione clobetasol |
|
| Definitions |
A 3-oxo-Delta(1),Delta(4)-steroid that is 16beta-methylpregna-1,4-diene-3,20-dione bearing hydroxy groups at the 11beta and 17alpha positions, fluorine at position 9, and a chlorine substituent at position 21. It is used as its 17alpha-propionate ester to treat various skin disorders, including exzema and psoriasis. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_205919 |
|
| charge |
0 |
|
| database_cross_reference |
DrugBank:DB01013 Patent:DE1902340 Patent:US3721687 CAS:25122-41-2 KEGG:D07715 Beilstein:6748271 PMID:26658258 PMID:27012570 |
|
| definition |
A 3-oxo-Delta(1),Delta(4)-steroid that is 16beta-methylpregna-1,4-diene-3,20-dione bearing hydroxy groups at the 11beta and 17alpha positions, fluorine at position 9, and a chlorine substituent at position 21. It is used as its 17alpha-propionate ester to treat various skin disorders, including exzema and psoriasis. |
|
| formula |
C22H28ClFO4 |
|
| has_alternative_id |
CHEBI:282071 |
|
| has_exact_synonym |
21-chloro-9-fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
clobetasolum (11beta,16beta)-21-chloro-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione clobetasol |
|
| id |
CHEBI:205919 |
|
| in_subset | ||
| inchi |
InChI=1S/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1 |
|
| inchikey |
FCSHDIVRCWTZOX-DVTGEIKXSA-N |
|
| label |
clobetasol |
|
| mass |
410.90700 |
|
| monoisotopicmass |
410.16602 |
|
| notation |
CHEBI:205919 |
|
| prefLabel |
clobetasol |
|
| RO_0000087 | ||
| smiles |
[H][C@@]12C[C@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_139592 http://purl.obolibrary.org/obo/CHEBI_77175 http://purl.obolibrary.org/obo/CHEBI_36885 http://purl.obolibrary.org/obo/CHEBI_24261 http://purl.obolibrary.org/obo/CHEBI_77166 http://purl.obolibrary.org/obo/CHEBI_50830 |