1.0 2016-05-25 18:26:23 UTC 2026-08-22 10:26:31 UTC Aliskiren SmallMolecule Aliskiren is an organic compound with the chemical formula C30H53N3O6. Aliskiren belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 551.76 g/mol, Aliskiren is a heavy molecule. This compound acts as an inhibitor of the protein target Renin (REN). It is found in or released from four recorded sources, including pharmaceuticals and veterinary products such as agents acting on the renin-angiotensin system and angiotensin II receptor blockers (ARBs). Additionally, it is associated with household cleaning and consumer products, specifically other smoking requisites and non electric simulated smoking devices. The recorded route of exposure for Aliskiren is oral. C30H53N3O6 551.7583 551.393436443 (2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide aliskiren 173334-57-1 COCCCOC1=C(OC)C=CC(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)=C1 InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1 UXOWGYHJODZGMF-QORCZRPOSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Delta amino acids and derivatives 1,2-aminoalcohols Alkyl aryl ethers Anisoles Aralkylamines Beta amino acids and derivatives Carbonyl compounds Dialkyl ethers Hydrocarbon derivatives Methoxybenzenes Monoalkylamines N-acyl amines Organic oxides Organopnictogen compounds Phenoxy compounds Phenylbutylamines Primary carboxylic acid amides Secondary alcohols Secondary carboxylic acid amides 1,2-aminoalcohol Alcohol Alkyl aryl ether Amine Anisole Aralkylamine Aromatic homomonocyclic compound Benzenoid Beta amino acid or derivatives Carbonyl group Carboxamide group Delta amino acid or derivatives Dialkyl ether Ether Fatty acyl Fatty amide Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Phenylbutylamine Primary aliphatic amine Primary amine Primary carboxylic acid amide Secondary alcohol Secondary carboxylic acid amide Aromatic homomonocyclic compounds monocarboxylic acid amide monomethoxybenzene Detected and Not Quantified Aliskiren Drug Metabolism Action Pathway SMP0144257 logp 3.12 logp 3.87 ALOGPS logs -5.42 ALOGPS solubility 2.10e-03 g/l ALOGPS logp 3.12 ChemAxon pka_strongest_acidic 14.56 ChemAxon pka_strongest_basic 9.57 ChemAxon iupac (2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide ChemAxon average_mass 551.7583 ChemAxon mono_mass 551.393436443 ChemAxon smiles COCCCOC1=C(OC)C=CC(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)=C1 ChemAxon formula C30H53N3O6 ChemAxon inchi InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1 ChemAxon inchikey UXOWGYHJODZGMF-QORCZRPOSA-N ChemAxon polar_surface_area 146.13 ChemAxon refractivity 154.32 ChemAxon polarizability 64.25 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7222b63a28> DB09026 5493444 4591452 BE0000270