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CHEBI:82720 - empagliflozin

ChEBI IDCHEBI:82720
ChEBI Nameempagliflozin
Stars
DefinitionA C-glycosyl compound consisting of a β-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.
Last Modified22 February 2017
Submittertmorrison
DownloadsMolfile
FormulaC23H27ClO7
Net Charge0
Average Mass450.915
Monoisotopic Mass450.14453
SMILESOC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=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
InChIKeyOBWASQILIWPZMG-QZMOQZSNSA-N
Wikipedia
Roles Classification
Biological Role:
sodium-glucose transport protein subtype 2 inhibitor  Any inhibitor that interferes with the action of sodium-glucose transport protein subtype 2.
Application:
hypoglycemic agent  A drug which lowers the blood glucose level.
ChEBI Ontology
Outgoing Relation(s)
empagliflozin (CHEBI:82720) has role hypoglycemic agent (CHEBI:35526)
empagliflozin (CHEBI:82720) has role sodium-glucose transport protein subtype 2 inhibitor (CHEBI:73273)
empagliflozin (CHEBI:82720) is a C-glycosyl compound (CHEBI:20857)
empagliflozin (CHEBI:82720) is a aromatic ether (CHEBI:35618)
empagliflozin (CHEBI:82720) is a monochlorobenzenes (CHEBI:83403)
empagliflozin (CHEBI:82720) is a tetrahydrofuryl ether (CHEBI:47814)
Incoming Relation(s)
Synjardy (CHEBI:90875) has part empagliflozin (CHEBI:82720)
IUPAC Name 
(1S)-1,5-anhydro-1-(4-chloro-3-{4-[(3S)-tetrahydrofuran-3-yloxy]benzyl}phenyl)-D-glucitol
Synonyms  Source
empagliflozinKEGG DRUG
1-chloro-4-(glucopyranos-1-yl)-2-(4-(tetrahydrofuran-3-yloxy)benzyl)benzeneChemIDplus
(1S)-1,5-anhydro-1-C-{4-chloro-3-((4-{((3S)-oxolan-3-yl)oxy}phenyl)methyl)phenyl}-D-glucitolChemIDplus
BI10773ChemIDplus
BI-10773ChemIDplus
BI 10773ChemIDplus
Brand Name  Source
JARDIANCEKEGG DRUG
Manual XrefsDatabases
D10459KEGG DRUG
EmpagliflozinWikipedia
4830DrugCentral
Registry NumbersSources
Reaxys:12378768Reaxys
CAS:864070-44-0KEGG DRUG
CAS:864070-44-0ChemIDplus
Citations