1.0 2016-05-22 06:41:10 UTC 2026-08-22 06:13:14 UTC Tolvaptan SmallMolecule Tolvaptan is an organic compound with the formula C26H25ClN2O3 and an average molecular weight of 448.95 g/mol. Tolvaptan belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid. The compound is associated with one recorded source: healthcare, pharmaceuticals & veterinary products, specifically diuretics. The recorded route of exposure for this substance is oral. Tolvaptan acts on two recorded protein targets, serving as an antagonist of the Vasopressin V2 receptor (AVPR2) and the Vasopressin V1a receptor (AVPR1A). C26H25ClN2O3 448.95 448.1553704 N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide tolvaptan 150683-30-0 CC1=CC=CC=C1C(=O)NC1=CC=C(C(=O)N2CCCC(O)C3=C2C=CC(Cl)=C3)C(C)=C1 InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31) GYHCTFXIZSNGJT-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Anilides Benzanilides Aryl chlorides Azacyclic compounds Azepines Benzamides Benzazepines Benzoyl derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Secondary alcohols Secondary carboxylic acid amides Tertiary carboxylic acid amides o-Toluamides Alcohol Aromatic heteropolycyclic compound Aryl chloride Aryl halide Azacycle Azepine Benzamide Benzanilide Benzazepine Benzoic acid or derivatives Benzoyl Carboxamide group Carboxylic acid derivative Hydrocarbon derivative O-toluamide Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary alcohol Secondary carboxylic acid amide Tertiary carboxylic acid amide Toluamide Toluene Aromatic heteropolycyclic compounds Detected and Not Quantified Tolvaptan Drug Metabolism Action Pathway SMP0144013 logp 5.35 logp 4.14 ALOGPS logs -5.56 ALOGPS solubility 1.24e-03 g/l ALOGPS logp 5.35 ChemAxon pka_strongest_acidic 13.84 ChemAxon pka_strongest_basic -2.1 ChemAxon iupac N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide ChemAxon average_mass 448.95 ChemAxon mono_mass 448.1553704 ChemAxon smiles CC1=CC=CC=C1C(=O)NC1=CC=C(C(=O)N2CCCC(O)C3=C2C=CC(Cl)=C3)C(C)=C1 ChemAxon formula C26H25ClN2O3 ChemAxon inchi InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31) ChemAxon inchikey GYHCTFXIZSNGJT-UHFFFAOYSA-N ChemAxon polar_surface_area 69.64 ChemAxon refractivity 129.16 ChemAxon polarizability 47.89 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722641e070> DB06212 443894 391976 BE0000293 BE0000165