loading...| Preferred Name |
empagliflozin |
|
| Synonyms |
(1S)-1,5-anhydro-1-(4-chloro-3-{4-[(3S)-tetrahydrofuran-3-yloxy]benzyl}phenyl)-D-glucitol empagliflozin BI-10773 BI10773 (1S)-1,5-anhydro-1-C-{4-chloro-3-((4-{((3S)-oxolan-3-yl)oxy}phenyl)methyl)phenyl}-D-glucitol 1-chloro-4-(glucopyranos-1-yl)-2-(4-(tetrahydrofuran-3-yloxy)benzyl)benzene JARDIANCE BI 10773 |
|
| Definitions |
A C-glycosyl compound consisting of a beta-glucosyl residue having a (4-chloro-3-{4-[(3S)-tetrahydrofuran-3-yloxy]benzyl}phenyl group at the anomeric centre. A sodium-glucose co-transporter 2 inhibitor used as an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_82720 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:24746173 Wikipedia:Empagliflozin PMID:24991224 KEGG:D10459 CAS:864070-44-0 PMID:24993361 PMID:24948511 PMID:24766495 PMID:23859488 PMID:25199997 PMID:25061325 Reaxys:12378768 PMID:24226524 PMID:24944269 PMID:25260362 PMID:24929430 PMID:25161155 PMID:24716752 PMID:24491572 PMID:23859534 PMID:24722494 PMID:24964723 PMID:24795251 PMID:23906415 PMID:25274537 PMID:24958326 PMID:25271206 PMID:25301180 PMID:25296258 Drug_Central:4830 |
|
| definition |
A C-glycosyl compound consisting of a beta-glucosyl residue having a (4-chloro-3-{4-[(3S)-tetrahydrofuran-3-yloxy]benzyl}phenyl group at the anomeric centre. A sodium-glucose co-transporter 2 inhibitor used as an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus. |
|
| formula |
C23H27ClO7 |
|
| has role | ||
| has_exact_synonym |
(1S)-1,5-anhydro-1-(4-chloro-3-{4-[(3S)-tetrahydrofuran-3-yloxy]benzyl}phenyl)-D-glucitol empagliflozin |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
BI-10773 BI10773 (1S)-1,5-anhydro-1-C-{4-chloro-3-((4-{((3S)-oxolan-3-yl)oxy}phenyl)methyl)phenyl}-D-glucitol 1-chloro-4-(glucopyranos-1-yl)-2-(4-(tetrahydrofuran-3-yloxy)benzyl)benzene JARDIANCE BI 10773 |
|
| id |
CHEBI:82720 |
|
| in_subset | ||
| inchi |
InChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1 |
|
| inchikey |
OBWASQILIWPZMG-QZMOQZSNSA-N |
|
| label |
empagliflozin |
|
| mass |
450.90900 |
|
| monoisotopicmass |
450.14453 |
|
| notation |
CHEBI:82720 |
|
| prefLabel |
empagliflozin |
|
| smiles |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(O[C@H]3CCOC3)cc2)c1 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_20857 http://purl.obolibrary.org/obo/CHEBI_35618 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_20857 http://purl.obolibrary.org/obo/CHEBI_35618 |