Empagliflozin

Molecular Mass: 450.9 g/mol

Formula: C₂₃H₂₇ClO₇

Smiles: OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O

Synonymes:

Empagliflozin, 864070-44-0, JARDIANCE, BI 10773, BI10773, BI-10773, Empagliflozina, Empagliflozine, HDC1R2M35U, 1-chloro-4-(glucopyranos-1-yl)-2-(4-(tetrahydrofuran-3-yloxy)benzyl)benzene, CHEBI:82720, DTXSID601026093, (1S)-1,5-anhydro-1-(4-chloro-3-{4-[(3S)-tetrahydrofuran-3-yloxy]benzyl}phenyl)-D-glucitol, GLYXAMBI COMPONENT EMPAGLIFLOZIN, (2S,3R,4R,5S,6R)-2-[4-chloro-3-({4-[(3S)-oxolan-3-yloxy]phenyl}methyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol, TRIJARDY XR COMPONENT EMPAGLIFLOZIN, (1S)-1,5-anhydro-1-C-{4-chloro-3-((4-{((3S)-oxolan-3-yl)oxy}phenyl)methyl)phenyl}-D-glucitol, D-Glucitol, 1,5-anhydro-1-C-(4-chloro-3-((4-(((3S)-tetrahydro-3-furanyl)oxy)phenyl)methyl)phenyl)-, (1S)-, Empagliflozinum, (1S)-1,5-anhydro-1-(4-chloro-3-(4-((3S)-tetrahydrofuran-3-yloxy)benzyl)phenyl)-D-glucitol, (1S)-1,5-Anhydro-1-C-(4-chloro-3-((4-(((3S)-oxolan-3-yl)oxy)phenyl)methyl)phenyl)-D-glucitol, (2S,3R,4R,5S,6R)-2-(4-chloro-3-((4-((3S)-oxolan-3-yloxy)phenyl)methyl)phenyl)-6-(hydroxymethyl)oxane-3,4,5-triol, D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-, (1S)-, RefChem:5790, A10BK03, DTXCID901510350, Empagliflozin (BI 10773), (1S)-1,5-Anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-D-glucitol, (2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, MFCD22566222, C23H27ClO7, (2S,3R,4R,5S,6R)-2-[4-CHLORO-3-[[4-[(3S)-OXOLAN-3-YL]OXYPHENYL]METHYL]PHENYL]-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL, (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol, (2S,3R,4R,5S,6R)-2-[4-Chloro-3-[[4-[(3S)-tetrahydrofuran-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol, Empagliflozin [INN], UNII-HDC1R2M35U, Empagliflozin [USAN:INN], Jardiance (TN), 7R3, D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-, (1S)-, (1S)-1,5-Anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-D-glucitol, BI 10773, Empagliflozin, Jardiance, Empagliflozin (Standard), EMPAGLIFLOZIN [MI], BI-10773, Empagliflozin, EMPAGLIFLOZIN [JAN], EMPAGLIFLOZIN [USAN], Empagliflozin (BI10773), EMPAGLIFLOZIN [VANDF], SCHEMBL899986, EMPAGLIFLOZIN [WHO-DD], GTPL4754, orb1307498, orb3141141, CHEMBL2107830, Empagliflozin (JAN/USAN/INN), SCHEMBL29357727, Empagliflozin (BI-10773)?, EX-A414, BDBM150162, GLXC-90400, EMPAGLIFLOZIN [ORANGE BOOK], MSK15587, BBL104150, EBC-27125, HB4638, HY-15409R, NSC839507, s8022, STL557964, US8980829, EMPAGLIFLOZIN, AKOS024464680, CCG-269242, CS-0940, DB09038, DS-9824, FE43026, NSC-839507, PB23119, AC-27643, HY-15409, SY046855, SW219120-1, C22194, D10459, EN300-7422890, AU-004/43508285, F799080, Q5373824, BRD-K53765467-001-02-1, Empagliflozin (BI-10773, BI 10773, BI10773), Z2235802079, 1,5-anhydro-1-{4-chloro-3-[4-(tetrahydro-3-furanyloxy)benzyl]phenyl}hexitol, (2S,3R,4R,5S,6R)-2-(4-Chloro-3-(4-((S)-tetrahydrofuran-3-yloxy)benzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, (2S,3R,4R,5S,6R)-2-[4-Chloro-3-[4-[[(S)-3-tetrahydrofuranyl]oxy]benzyl]phenyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Butanol	278.15	-	0.009	[266]
1-Butanol	283.15	-	0.01357	[266]
1-Butanol	288.15	-	0.01999	[266]
1-Butanol	293.15	-	0.0291	[266]
1-Butanol	298.15	-	0.04162	[266]
1-Butanol	303.15	-	0.0585	[266]
1-Butanol	308.15	-	0.07866	[266]
1-Butanol	313.15	-	0.1068	[266]
1-Butanol	318.15	-	0.1452	[266]
1-Propanol	278.15	-	0.0097	[266]
1-Propanol	283.15	-	0.0148	[266]
1-Propanol	288.15	-	0.02054	[266]
1-Propanol	293.15	-	0.02737	[266]
1-Propanol	298.15	-	0.03654	[266]
1-Propanol	303.15	-	0.04704	[266]
1-Propanol	308.15	-	0.06176	[266]
1-Propanol	313.15	-	0.08449	[266]
1-Propanol	318.15	-	0.117	[266]
Acetonitrile	278.15	-	0.0054	[266]
Acetonitrile	283.15	-	0.0086	[266]
Acetonitrile	288.15	-	0.01263	[266]
Acetonitrile	293.15	-	0.01693	[266]
Acetonitrile	298.15	-	0.02235	[266]
Acetonitrile	303.15	-	0.02982	[266]
Acetonitrile	308.15	-	0.04097	[266]
Acetonitrile	313.15	-	0.05137	[266]
Acetonitrile	318.15	-	0.06764	[266]
Dimethylformamide	278.15	-	6.961	[266]
Dimethylformamide	283.15	-	7.341	[266]
Dimethylformamide	288.15	-	7.598	[266]
Dimethylformamide	293.15	-	7.853	[266]
Dimethylformamide	298.15	-	8.285	[266]
Dimethylformamide	303.15	-	8.643	[266]
Dimethylformamide	308.15	-	9.121	[266]
Dimethylformamide	313.15	-	9.475	[266]
Dimethylformamide	318.15	-	9.77	[266]
Ethanol	278.15	-	0.0183	[266]
Ethanol	283.15	-	0.02943	[266]
Ethanol	288.15	-	0.03758	[266]
Ethanol	293.15	-	0.051	[266]
Ethanol	298.15	-	0.06496	[266]
Ethanol	303.15	-	0.0841	[266]
Ethanol	308.15	-	0.106	[266]
Ethanol	313.15	-	0.1398	[266]
Ethanol	318.15	-	0.1826	[266]
Ethyl acetate	278.15	-	0.0034	[266]
Ethyl acetate	283.15	-	0.005	[266]
Ethyl acetate	288.15	-	0.0066	[266]
Ethyl acetate	293.15	-	0.0091	[266]
Ethyl acetate	298.15	-	0.01172	[266]
Ethyl acetate	303.15	-	0.01418	[266]
Ethyl acetate	308.15	-	0.01928	[266]
Ethyl acetate	313.15	-	0.02492	[266]
Ethyl acetate	318.15	-	0.0307	[266]
Ethylene Glycol	278.15	-	0.0947	[266]
Ethylene Glycol	283.15	-	0.1204	[266]
Ethylene Glycol	288.15	-	0.155	[266]
Ethylene Glycol	293.15	-	0.1965	[266]
Ethylene Glycol	298.15	-	0.2749	[266]
Ethylene Glycol	303.15	-	0.3384	[266]
Ethylene Glycol	308.15	-	0.4735	[266]
Ethylene Glycol	313.15	-	0.5598	[266]
Ethylene Glycol	318.15	-	0.6837	[266]
Formamide	278.15	-	0.9241	[266]
Formamide	283.15	-	1.05	[266]
Formamide	288.15	-	1.23	[266]
Formamide	293.15	-	1.384	[266]
Formamide	298.15	-	1.617	[266]
Formamide	303.15	-	1.959	[266]
Formamide	308.15	-	2.267	[266]
Formamide	313.15	-	2.774	[266]
Formamide	318.15	-	3.377	[266]
Methanol	278.15	-	0.2006	[266]
Methanol	283.15	-	0.2793	[266]
Methanol	288.15	-	0.34	[266]
Methanol	293.15	-	0.4063	[266]
Methanol	298.15	-	0.4935	[266]
Methanol	303.15	-	0.6094	[266]
Methanol	308.15	-	0.7544	[266]
Methanol	313.15	-	0.927	[266]
Methanol	318.15	-	1.19	[266]

Molecule 3D descriptors

Descriptor	Value
PMI1	3038.4947
PMI2	8170.6061
PMI3	9897.4207
NPR1	0.3070
NPR2	0.8255
RadiusOfGyration	4.8378
InertialShapeFactor	0.0003
Eccentricity	0.9517
Asphericity	0.3428
SpherocityIndex	0.2243
PBF	1.1854