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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | canagliflozin | |
| Synonyms |
1-(Glucopyranosyl)-4-methyl-3-(5-(4-fluorophenyl)-2-thienylmethyl)benzene (1S)-1,5-anhydro-1-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methylphenyl)-D-glucitol |
|
| Definitions |
A C-glycosyl compound that is used (in its hemihydrate form) for treatment of type II diabetes via inhibition of sodium-glucose transport protein subtype 2. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_73274 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:23563279 Wikipedia:Canagliflozin PMID:22385274 PMID:22548646 PMID:23087012 PMID:23585665 PMID:23279307 Drug_Central:4758 Reaxys:18362681 PMID:23464594 PMID:21457428 PMID:23412078 Patent:WO2011142478 PMID:22621689 Patent:US2010099883 Patent:US2012289694 PMID:23564919 PMID:22492586 PMID:22355316 PMID:22632452 Patent:WO2009035969 PMID:23590413 PMID:23370138 CAS:842133-18-0 PMID:20690635 PMID:22226086 Patent:US2008146515
|
|
| definition |
A C-glycosyl compound that is used (in its hemihydrate form) for treatment of type II diabetes via inhibition of sodium-glucose transport protein subtype 2.
|
|
| formula |
C24H25FO5S
|
|
| has role | ||
| has_exact_synonym |
(1S)-1,5-anhydro-1-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methylphenyl)-D-glucitol
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
1-(Glucopyranosyl)-4-methyl-3-(5-(4-fluorophenyl)-2-thienylmethyl)benzene
|
|
| id |
CHEBI:73274
|
|
| in_subset | ||
| inchi |
InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1
|
|
| inchikey |
XTNGUQKDFGDXSJ-ZXGKGEBGSA-N
|
|
| label |
canagliflozin
|
|
| mass |
444.518
|
|
| monoisotopicmass |
444.14067
|
|
| notation |
CHEBI:73274
|
|
| prefLabel |
canagliflozin
|
|
| smiles |
[C@@H]1([C@@H]([C@H]([C@@](O[C@@H]1CO)(C2=CC=C(C(=C2)CC=3SC(=CC3)C4=CC=C(C=C4)F)C)[H])O)O)O
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_20857 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_20857 |
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