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dapagliflozin propanediol monohydrate

Go to external page http://purl.obolibrary.org/obo/CHEBI_85079

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.

Term info

Label

dapagliflozin propanediol monohydrate

Synonyms
  • (2S)-propane-1,2-diol--(1S)-1,5-anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-D-glucitol--water (1/1/1)
database cross reference
Subsets

3_STAR

BRAND NAME
Forxiga [ KEGG_DRUG ]

BRAND NAME
Farxiga [ KEGG_DRUG ]

IUPAC NAME
(2S)-propane-1,2-diol--(1S)-1,5-anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-D-glucitol--water (1/1/1) [ IUPAC ]

charge

0

formula

C24H35ClO9

has obo namespace

chebi_ontology

has related synonym

dapagliflozin (S)-propylene glycol hydrate, Dapagliflozin propanediol, Dapagliflozin S-propylene glycol monohydrate, Dapagliflozin mixture with propylene glycol, hydrate, Forxiga, Farxiga, Dapagliflozin propylene glycolate hydrate, BMS-512148-05

id

CHEBI:85079

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

mass

502.98200

monoisotopicmass

502.19696

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