loading...| Preferred Name |
beclomethasone |
|
| Synonyms |
Beclomethasone (11beta,16beta)-9-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione beclometasone beclometasona 9-chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione beclometasonum 9alpha-chloro-16beta-methylprednisolone |
|
| Definitions |
A 17alpha-hydroxy steroid that is prednisolone in which the hydrogens at the 9alpha and 16beta positions are substituted by a chlorine and a methyl group, respectively. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3001 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:C06842 KEGG:D07495 Beilstein:5640546 Reaxys:5640546 DrugBank:DB00394 Patent:GB912378 CAS:4419-39-0 |
|
| definition |
A 17alpha-hydroxy steroid that is prednisolone in which the hydrogens at the 9alpha and 16beta positions are substituted by a chlorine and a methyl group, respectively. |
|
| formula |
C22H29ClO5 |
|
| has functional parent | ||
| has parent hydride | ||
| has role | ||
| has_exact_synonym |
Beclomethasone (11beta,16beta)-9-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
beclometasone beclometasona 9-chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione beclometasonum 9alpha-chloro-16beta-methylprednisolone |
|
| id |
CHEBI:3001 |
|
| in_subset | ||
| inchi |
InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1 |
|
| inchikey |
NBMKJKDGKREAPL-DVTGEIKXSA-N |
|
| label |
beclomethasone |
|
| mass |
408.91536 |
|
| monoisotopicmass |
408.17035 |
|
| notation |
CHEBI:3001 |
|
| prefLabel |
beclomethasone |
|
| smiles |
[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_50858 http://purl.obolibrary.org/obo/CHEBI_139590 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_35344 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_50858 http://purl.obolibrary.org/obo/CHEBI_139590 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_35344 |