1.0 2016-05-22 05:56:42 UTC 2026-08-22 07:42:45 UTC Darunavir SmallMolecule Darunavir is an organic compound with the chemical formula C27H37N3O7S. Darunavir belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 547.66 g/mol, Darunavir is a heavy molecule. This compound has been identified in or released from five recorded sources. These include pharmaceuticals and veterinary products, specifically antivirals and gynecologicals, as well as electrical and electronic equipment such as video games and television systems. Additionally, it is found in household cleaning and consumer products, specifically non electric simulated smoking devices. The recorded route of exposure for this substance is oral. In terms of biological activity, Darunavir interacts with two recorded protein targets. It functions as an inhibitor or modulator of the Pol polyprotein and the Gag-Pol polyprotein (gag-pol). Human Neurotoxin C27H37N3O7S 547.664 547.235221243 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)4-aminobenzenesulfonamido]-1-phenylbutan-2-yl]carbamate darunavir 206361-99-1 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CC(C)C)S(=O)(=O)C1=CC=C(N)C=C1 InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1 CJBJHOAVZSMMDJ-HEXNFIEUSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzenesulfonamides Aminobenzenesulfonamides Acetals Aminosulfonyl compounds Amphetamines and derivatives Aniline and substituted anilines Benzenesulfonyl compounds Carbamate esters Carbonyl compounds Furofurans Hydrocarbon derivatives Organic carbonic acids and derivatives Organic oxides Organopnictogen compounds Organosulfonamides Oxacyclic compounds Phenylbutylamines Primary amines Secondary alcohols Tetrahydrofurans Acetal Alcohol Amine Aminobenzenesulfonamide Aminosulfonyl compound Amphetamine or derivatives Aniline or substituted anilines Aromatic heteropolycyclic compound Benzenesulfonyl group Carbamic acid ester Carbonic acid derivative Carbonyl group Furofuran Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid amide Organosulfonic acid or derivatives Organosulfur compound Oxacycle Phenylbutylamine Primary amine Secondary alcohol Sulfonyl Tetrahydrofuran Aromatic heteropolycyclic compounds carbamate ester furofuran sulfonamide Detected and Not Quantified Darunavir Action Pathway SMP0125937 Darunavir Drug Metabolism Action Pathway SMP0143679 Darunavir Predicted Metabolism Pathway SMP0174522 logp 2.82 logp 1.76 ALOGPS logs -3.91 ALOGPS solubility 6.68e-02 g/l ALOGPS logp 2.82 ChemAxon pka_strongest_acidic 13.59 ChemAxon pka_strongest_basic 2.39 ChemAxon iupac (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)4-aminobenzenesulfonamido]-1-phenylbutan-2-yl]carbamate ChemAxon average_mass 547.664 ChemAxon mono_mass 547.235221243 ChemAxon smiles [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CC(C)C)S(=O)(=O)C1=CC=C(N)C=C1 ChemAxon formula C27H37N3O7S ChemAxon inchi InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1 ChemAxon inchikey CJBJHOAVZSMMDJ-HEXNFIEUSA-N ChemAxon polar_surface_area 140.42 ChemAxon refractivity 142.34 ChemAxon polarizability 57.24 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72679b5650> DB01264 213039 19817196 BE0004854 BE0002050