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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | fluticasone | |
| Synonyms |
fluticasone fluticasona fluticasonum S-(fluoromethyl) (6alpha,11beta,16alpha,17alpha)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioate |
|
| Definitions |
A trifluorinated corticosteroid used in the form of its propionate ester for treatment of allergic rhinitis. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_5134 |
|
| alternative term |
fluticasone fluticasona fluticasonum S-(fluoromethyl) (6alpha,11beta,16alpha,17alpha)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioate
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|
| bearer of | ||
| charge |
0
|
|
| database_cross_reference |
KEGG:C07815 KEGG:D07981 PMID:23276699 Reaxys:8173308 PMID:23591272 Wikipedia:Fluticasone PMID:22370858 CAS:90566-53-3 PMID:23796052
|
|
| definition |
A trifluorinated corticosteroid used in the form of its propionate ester for treatment of allergic rhinitis.
|
|
| formula |
C22H27F3O4S
|
|
| has_exact_synonym |
S-(fluoromethyl) (6alpha,11beta,16alpha,17alpha)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioate
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_parent_hydride | ||
| has_related_synonym |
fluticasone fluticasona fluticasonum
|
|
| id |
CHEBI:5134
|
|
| in_subset | ||
| inchi |
InChI=1S/C22H27F3O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)30-10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1
|
|
| inchikey |
MGNNYOODZCAHBA-GQKYHHCASA-N
|
|
| label |
fluticasone
|
|
| mass |
444.50800
|
|
| monoisotopicmass |
444.15822
|
|
| notation |
CHEBI:5134
|
|
| prefLabel |
fluticasone
|
|
| RO_0000087 | ||
| smiles |
[H][C@@]12C[C@@H](C)[C@](O)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
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|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_50858 http://purl.obolibrary.org/obo/CHEBI_51277 http://purl.obolibrary.org/obo/CHEBI_50830 http://purl.obolibrary.org/obo/CHEBI_35342 |
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