Ertugliflozin (CED0005685)

Record Information

Version

1.0

Creation Date

2026-04-05 13:47:54 UTC

Update Date

2026-08-21 22:19:12 UTC

Accession Number

CHEM103221

Identification

Common Name

Ertugliflozin

Class

Small Molecule

Description

Ertugliflozin is an organic compound with the formula C22H25ClO7 and an average molecular weight of 436.89 g/mol. Ertugliflozin belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. It functions as an inhibitor of the protein target Sodium/glucose cotransporter 2 (SLC5A2). This compound is released from healthcare, pharmaceuticals, and veterinary products, specifically those used as blood glucose lowering drugs excluding insulins. The recorded route of exposure for this substance is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₂H₂₅ClO₇

Average Molecular Mass

436.890 g/mol

Monoisotopic Mass

436.129 g/mol

CAS Registry Number

1210344-57-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)C=C1

InChI Identifier

InChI=1S/C22H25ClO7/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/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1

InChI Key

MCIACXAZCBVDEE-CUUWFGFTSA-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 LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0761900000-f5fbf29aaedb18718ebf	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00ks-0576900000-3c4dc8494b98a9c2fb3a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0kw0-1960000000-b69c15e886d549daae6c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0000900000-323ba18f3adece5e3020	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052r-1006900000-40e105af50198a914dfb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004j-1109000000-10d718651cbfeb8101e5	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
8538.0	Log mg/kg	[4800:15000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

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

Pathways

1 pathway

Ertugliflozin 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)	0.856341
Click to view 3D structure	Sodium/glucose cotransporter 1	P13866	Humans	Predicted (SEA)	0.622794
Click to view 3D structure	Sodium/glucose cotransporter 2	Q923I7	Mus musculus	Predicted (SEA)	0.389246
Click to view 3D structure	Sodium/glucose cotransporter 2	P53792	Rattus norvegicus	Predicted (SEA)	0.0778492
Click to view 3D structure	SGLT1 protein	Q9QXI6	Mus musculus	Predicted (SEA)	0.0778492
Click to view 3D structure	Sodium/myo-inositol cotransporter 2	Q8WWX8	Humans	Predicted (SEA)	4.12601
Click to view 3D structure	Ceramide synthase 1	P27545	Mus musculus	Predicted (SEA)	11.5995
Click to view 3D structure	Ceramide synthase 4	Q9HA82	Humans	Predicted (SEA)	11.5995
Click to view 3D structure	Ceramide synthase 6	Q6ZMG9	Humans	Predicted (SEA)	11.5995
Click to view 3D structure	Ceramide synthase 2	Q924Z4	Mus musculus	Predicted (SEA)	11.5995
Click to view 3D structure	Ceramide synthase 5	Q9D6K9	Mus musculus	Predicted (SEA)	11.5995
Click to view 3D structure	Ceramide synthase 1	P27544	Humans	Predicted (SEA)	11.5995
Click to view 3D structure	Asialoglycoprotein receptor 1	P07306	Humans	Predicted (SEA)	1.24559
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	2255.91
Click to view 3D structure	Sphingosine 1-phosphate receptor 1	P21453	Humans	Predicted (SEA)	776.079
Click to view 3D structure	Sphingosine 1-phosphate receptor 5	Q9H228	Humans	Predicted (SEA)	450.28
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	2519.43
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	2616.82
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	3727.11
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	2707.44
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	3107.51
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	6149.23
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	4989.43
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	6259.93
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	5065.18