Mrv0541 10171417112D          

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M  END
> <ID>
CHEBI:82720

> <NAME>
empagliflozin

> <DEFINITION>
A C-glycosyl compound consisting of a ?-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.

> <STAR>
3

> <SYNONYM>
empagliflozin; BI10773; BI-10773; BI 10773; 1-chloro-4-(glucopyranos-1-yl)-2-(4-(tetrahydrofuran-3-yloxy)benzyl)benzene; (1S)-1,5-anhydro-1-C-{4-chloro-3-((4-{((3S)-oxolan-3-yl)oxy}phenyl)methyl)phenyl}-D-glucitol

> <IUPAC_NAME>
(1S)-1,5-anhydro-1-(4-chloro-3-{4-[(3S)-tetrahydrofuran-3-yloxy]benzyl}phenyl)-D-glucitol

> <BRAND_NAME>
JARDIANCE

> <FORMULA>
C23H27ClO7

> <MASS>
450.90900

> <MONOISOTOPIC_MASS>
450.14453

> <CHARGE>
0

> <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

> <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

> <CAS_REGISTRY_NUMBER>
864070-44-0

> <REAXYS_REGISTRY_NUMBER>
12378768

> <CHEMIDPLUS>
864070-44-0

> <KEGG_DRUG_ACCESSION>
D10459

> <WIKIPEDIA_ACCESSION>
Empagliflozin

> <PUBMED_CITATION>
23859488; 23859534; 23906415; 24226524; 24491572; 24716752; 24722494; 24746173; 24766495; 24795251; 24929430; 24944269; 24948511; 24958326; 24964723; 24991224; 24993361; 25061325; 25161155; 25199997; 25260362; 25271206; 25274537; 25296258; 25301180

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