Empagliflozin (CED0002127)

Record Information

Version

1.0

Creation Date

2026-04-04 18:11:38 UTC

Update Date

2026-08-22 00:56:02 UTC

Accession Number

CHEM077362

Identification

Common Name

Empagliflozin

Class

Small Molecule

Description

Empagliflozin is an organic compound with the formula C23H27Cl1O7 and an average molecular weight of 450.91 g/mol. Empagliflozin belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. It is categorized as an organic oxygen compound. This substance is found in or released from healthcare, pharmaceuticals & veterinary products, specifically among blood glucose lowering drugs excluding insulins, and is administered via the oral exposure route. At the molecular level, the compound acts as an inhibitor of the protein target Sodium/glucose cotransporter 2 (SLC5A2). Empagliflozin is used in the treatment of neutropenia (PMC10074227). Additionally, it has been noted for its therapeutic effects on heart failure (PMC13084601), blood pressure (PMC11490188), and arrhythmia (PMC11490188).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₃H₂₇Cl₁O₇

Average Molecular Mass

450.910 g/mol

Monoisotopic Mass

450.145 g/mol

CAS Registry Number

864070-44-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=CC=C(Cl)C(CC2=CC=C(O[C@H]3CCOC3)C=C2)=C1

InChI Identifier

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

InChI Key

OBWASQILIWPZMG-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0uk9-2209300000-52f78733424daca8c8f7	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0w30-0009800000-aecf5121c561f6f25e92	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0wn9-0069300000-30551be4abc4c37de12c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9087700000-c27c089ff5f79b2ff6b4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001j-3001900000-fa9bf871622e330ce7ed	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-053s-8036900000-102d5b02f394c1ad43f3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a7i-9082100000-0f1a1a95680ce919517f	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
8908.0	Log mg/kg	[5000:16000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference
blood pressure	has_therapeutic_effect_on	Not Available	PMC11490188
neutropenia	is_treatment_for	Not Available	PMC10074227
heart failure	has_therapeutic_effect_on	Not Available	PMC13084601
arrhythmia	has_therapeutic_effect_on	Not Available	PMC11490188

Exposure Sources

Source ID	Source	Sector	Reference
263	Blood glucose lowering drugs, excl. insulins	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

1 pathway

Empagliflozin Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Sodium/glucose cotransporter 2	P31639	Humans	Predicted (SEA)	0.778492
Click to view 3D structure	Sodium/glucose cotransporter 1	P13866	Humans	Predicted (SEA)	0.544945
Click to view 3D structure	Sodium/glucose cotransporter 2	Q923I7	Mus musculus	Predicted (SEA)	0.934191
Click to view 3D structure	Sodium/myo-inositol cotransporter 2	Q8WWX8	Humans	Predicted (SEA)	0.856341
Click to view 3D structure	Sodium/glucose cotransporter 2	P53792	Rattus norvegicus	Predicted (SEA)	0.544945
Click to view 3D structure	Type 1 fimbrin D-mannose specific adhesin	P08191	Escherichia coli K-12	Predicted (SEA)	5.52729
Click to view 3D structure	Lectin	B4EH87	Burkholderia cenocepacia (strain ATCC BAA-245 / DSM 16553 / LMG 16656/ NCTC 13227 / J2315 / CF5610) (Burkholderia cepacia (strain J2315))	Predicted (SEA)	7.23998
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	594.145
Click to view 3D structure	N-acetyllactosaminide alpha-1,3-galactosyltransferase	P50127	Sus scrofa	Predicted (SEA)	5.3716
Click to view 3D structure	Adenosine receptor A1	P30542	Humans	Predicted (SEA)	550.472
Click to view 3D structure	Adenosine receptor A2a	P29274	Humans	Predicted (SEA)	706.092
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	973.427
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	471.533
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	721.584
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	1166.73
Click to view 3D structure	Adenosine receptor A3	O02667	Oryctolagus cuniculus	Predicted (SEA)	37.4455
Click to view 3D structure	Adenosine receptor A1	P28190	Bos taurus	Predicted (SEA)	175.861
Click to view 3D structure	Adenosine receptor A1	P34970	Oryctolagus cuniculus	Predicted (SEA)	37.679
Click to view 3D structure	Trehalose-phosphatase	A8NS89	Brugia malayi	Predicted (SEA)	17.2825
Click to view 3D structure	Adenosine receptor A2b	P29275	Humans	Predicted (SEA)	692.157
Click to view 3D structure	Oligo-1,6-glucosidase IMA1	P53051	Saccharomyces cerevisiae S288c	Predicted (SEA)	33.8644
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	4248.54
Click to view 3D structure	Receptor tyrosine-protein kinase erbB-2	P04626	Humans	Predicted (SEA)	3182.79
Click to view 3D structure	A1 adenosine receptor	Q4VQ11	Sus scrofa	Predicted (SEA)	42.4278
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	1547.41