Ertugliflozin pidolateProduct ingredient for Ertugliflozin
- Name
- Ertugliflozin pidolate
- Drug Entry
- Ertugliflozin
Ertugliflozin is a sodium-dependent glucose cotransporter-2 (SGLT2) inhibitor used to treat type II diabetes mellitus. It works to block glucose reabsorption from the glomerulus.1
Ertugliflozin was first approved by the FDA in December 2017.5,6 It was also approved by the European Commission in March 2018.12
- Accession Number
- DBSALT002616
- Structure
- Synonyms
- Ertugliflozin L-pyroglutamic acid
- UNII
- MLU731K321
- CAS Number
- 1210344-83-4
- Weight
- Average: 566.0
Monoisotopic: 565.1714739 - Chemical Formula
- C27H32ClNO10
- InChI Key
- YHIUPZFKHZTLSH-LXYIGGQGSA-N
- InChI
- InChI=1S/C22H25ClO7.C5H7NO3/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22;7-4-2-1-3(6-4)5(8)9/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)/t18-,19-,20+,21-,22-;3-/m00/s1
- IUPAC Name
- (1S,2S,3S,4R,5S)-5-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol; (2S)-5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid
- SMILES
- [H][C@]1(CCC(O)=N1)C(O)=O.[H][C@]1(O)[C@]([H])(O)[C@]2(CO)CO[C@](O2)(C2=CC=C(Cl)C(CC3=CC=C(OCC)C=C3)=C2)[C@]1([H])O
- External Links
- ChemSpider
- 58828299
- Predicted Properties
Property Value Source Water Solubility 0.119 mg/mL ALOGPS logP 2.21 ALOGPS logP 2.32 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 11.98 Chemaxon pKa (Strongest Basic) -3.1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 108.61 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 109.07 m3·mol-1 Chemaxon Polarizability 44.49 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon