loading...| Preferred Name |
canagliflozin |
| Synonyms |
(1S)-1,5-anhydro-1-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methylphenyl)-D-glucitol 1-(Glucopyranosyl)-4-methyl-3-(5-(4-fluorophenyl)-2-thienylmethyl)benzene |
| 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:22548646 Patent:US2012289694 PMID:23564919 PMID:22355316 PMID:23585665 PMID:22632452 PMID:23087012 PMID:22492586 Patent:WO2011142478 Drug_Central:4758 Wikipedia:Canagliflozin Patent:WO2009035969 Reaxys:18362681 PMID:23370138 PMID:22226086 Patent:US2008146515 PMID:23563279 Patent:US2010099883 CAS:842133-18-0 PMID:23279307 PMID:23464594 PMID:21457428 PMID:23412078 PMID:23590413 PMID:22621689 PMID:22385274 PMID:20690635 |
| 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_26961 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_26961 |