CHEBI:85079 - dapagliflozin propanediol monohydrate

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ChEBI Name dapagliflozin propanediol monohydrate
ChEBI ID CHEBI:85079
Definition A hydrate that consists of dapagliflozin compounded with (S)-propylene glycol and hydrate in a (1:1:1) ratio. Used to improve glycemic control, along with diet and exercise, in adults with type 2 diabetes.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H35ClO9
Net Charge 0
Average Mass 502.98200
Monoisotopic Mass 502.19696
InChI InChI=1S/C21H25ClO6.C3H8O2.H2O/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21;1-3(5)2-4;/h3-8,10,17-21,23-26H,2,9,11H2,1H3;3-5H,2H2,1H3;1H2/t17-,18-,19+,20-,21+;3-;/m10./s1
InChIKey GOADIQFWSVMMRJ-UPGAGZFNSA-N
SMILES O.C[C@H](O)CO.CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Roles Classification
Biological Role(s): sodium-glucose transport protein subtype 2 inhibitor
Any inhibitor that interferes with the action of sodium-glucose transport protein subtype 2.
Application(s): hypoglycemic agent
A drug which lowers the blood glucose level.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing dapagliflozin propanediol monohydrate (CHEBI:85079) has part (S)-propane-1,2-diol (CHEBI:29002)
dapagliflozin propanediol monohydrate (CHEBI:85079) has part dapagliflozin (CHEBI:85078)
dapagliflozin propanediol monohydrate (CHEBI:85079) has role hypoglycemic agent (CHEBI:35526)
dapagliflozin propanediol monohydrate (CHEBI:85079) has role sodium-glucose transport protein subtype 2 inhibitor (CHEBI:73273)
dapagliflozin propanediol monohydrate (CHEBI:85079) is a hydrate (CHEBI:35505)
IUPAC Name
(2S)-propane-1,2-diol—(1S)-1,5-anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-D-glucitol—water (1/1/1)
Synonyms Sources
BMS-512148-05 ChemIDplus
dapagliflozin (S)-propylene glycol hydrate ChEBI
Dapagliflozin mixture with propylene glycol, hydrate ChemIDplus
Dapagliflozin propanediol KEGG DRUG
Dapagliflozin propylene glycolate hydrate KEGG DRUG
Dapagliflozin S-propylene glycol monohydrate ChemIDplus
Brand Names Sources
Farxiga KEGG DRUG
Forxiga KEGG DRUG
Manual Xrefs Databases
D09763 KEGG DRUG
DB06292 DrugBank
View more database links
Registry Numbers Types Sources
13037263 Reaxys Registry Number Reaxys
960404-48-2 CAS Registry Number ChemIDplus
960404-48-2 CAS Registry Number KEGG DRUG
Last Modified
04 March 2015