1.0 2016-06-03 13:34:11 UTC 2026-05-14 18:19:19 UTC dapagliflozin SmallMolecule Dapagliflozin is an organic compound with the formula C21H25ClO6 and an average molecular weight of 408.88 g/mol. It is classified as an inhibitor of the Sodium/glucose cotransporter 2 (SLC5A2) protein target. The compound is found in healthcare, pharmaceuticals, and veterinary products, specifically among blood glucose lowering drugs excluding insulins, and is administered via the oral exposure route. Dapagliflozin belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. C21H25ClO6 408.88 408.1339662 2-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol dapagliflozin 461432-26-8 CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)C2OC(CO)C(O)C(O)C2O)C=C1 InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3 JVHXJTBJCFBINQ-UHFFFAOYSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Phenolic glycosides Alkyl aryl ethers Aryl chlorides C-glycosyl compounds Chlorobenzenes Dialkyl ethers Diphenylmethanes Hexoses Hydrocarbon derivatives Organochlorides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Primary alcohols Secondary alcohols Alcohol Alkyl aryl ether Aromatic heteromonocyclic compound Aryl chloride Aryl halide Benzenoid C-glycosyl compound Chlorobenzene Dialkyl ether Diphenylmethane Ether Halobenzene Hexose monosaccharide Hydrocarbon derivative Monocyclic benzene moiety Monosaccharide Organochloride Organohalogen compound Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Aromatic heteromonocyclic compounds Detected and Not Quantified Dapagliflozin Drug Metabolism Action Pathway SMP0144036 logp 2.11 logp 2.52 ALOGPS logs -3.37 ALOGPS solubility 1.73e-01 g/l ALOGPS logp 2.11 ChemAxon pka_strongest_acidic 12.57 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 408.88 ChemAxon mono_mass 408.1339662 ChemAxon smiles CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)C2OC(CO)C(O)C(O)C2O)C=C1 ChemAxon formula C21H25ClO6 ChemAxon inchi InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3 ChemAxon inchikey JVHXJTBJCFBINQ-UHFFFAOYSA-N ChemAxon polar_surface_area 99.38 ChemAxon refractivity 104.93 ChemAxon polarizability 42.21 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227c205b0> DB06292 23560495 19165742 BE0004753