Canagliflozin (CED0002773)

Record Information

Version

1.0

Creation Date

2026-04-06 04:19:31 UTC

Update Date

2026-08-22 03:22:01 UTC

Accession Number

CHEM117477

Identification

Common Name

Canagliflozin

Class

Small Molecule

Description

Canagliflozin is an organic compound with the formula C24H25FO5S and an average molecular weight of 444.52 g/mol. Canagliflozin belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. It is utilized in healthcare, pharmaceuticals, and veterinary products as a blood glucose lowering drug, excluding insulins, and is administered via the oral exposure route. In terms of biological activity, this compound acts as an inhibitor of the protein target Sodium/glucose cotransporter 2 (SLC5A2).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₄H₂₅FO₅S

Average Molecular Mass

444.520 g/mol

Monoisotopic Mass

444.141 g/mol

CAS Registry Number

842133-18-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[H][C@]1(CO)O[C@@]([H])(C2=CC(CC3=CC=C(S3)C3=CC=C(F)C=C3)=C(C)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O

InChI Identifier

InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1

InChI Key

XTNGUQKDFGDXSJ-ZXGKGEBGSA-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	splash10-0002-0011900000-1d8b42499e7f6fabf97b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00ke-3191400000-6c2c00cdc6d0468bfa9e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052g-3944000000-b8c60b80d51bc247a1ad	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0202900000-7c227086efc93b2e0628	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00bc-9717700000-bedac039253035f76b2b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000f-9751000000-9e200a5dd699505085ab	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
295.0	Log mg/kg	[170:520]	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

Canagliflozin 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)	0.389246
Click to view 3D structure	Sodium/glucose cotransporter 1	P13866	Humans	Predicted (SEA)	1.08989
Click to view 3D structure	Sodium/glucose cotransporter 2	Q923I7	Mus musculus	Predicted (SEA)	1.01204
Click to view 3D structure	Sodium/glucose cotransporter 2	P53792	Rattus norvegicus	Predicted (SEA)	0.155698
Click to view 3D structure	Protease	Q9YQ12	Human immunodeficiency virus 1	Predicted (SEA)	33.3195
Click to view 3D structure	Type 1 fimbrin D-mannose specific adhesin	P08191	Escherichia coli K-12	Predicted (SEA)	6.53933
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)	6.46149
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	533.111
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	806.518
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	520.033
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	888.026
Click to view 3D structure	1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside deacetylase	P9WJN3	Mycobacterium tuberculosis	Predicted (SEA)	3.11397
Click to view 3D structure	Oligo-1,6-glucosidase IMA1	P53051	Saccharomyces cerevisiae S288c	Predicted (SEA)	24.289
Click to view 3D structure	Sodium/myo-inositol cotransporter 2	Q8WWX8	Humans	Predicted (SEA)	7.16213
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	1475.79
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	503.918
Click to view 3D structure	Galectin-3	P17931	Humans	Predicted (SEA)	18.2167
Click to view 3D structure	Thymidine kinase	P0C0E6	HHV-3	Predicted (SEA)	17.4382
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	665.767
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	4025.12
Click to view 3D structure	2-Hydroxyacid oxidase 2	Q9NYQ3	Humans	Predicted (SEA)	69.3637
Click to view 3D structure	Galectin-9	O00182	Humans	Predicted (SEA)	17.3604
Click to view 3D structure	Galectin-1	P09382	Humans	Predicted (SEA)	15.2584
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	1728.95
Click to view 3D structure	Adenosine receptor A1	P49892	Gallus gallus	Predicted (SEA)	49.8235