1.0 2016-05-22 05:45:34 UTC 2026-05-14 16:25:08 UTC Argatroban SmallMolecule Argatroban 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 508.63 g/mol, Argatroban is a heavy molecule. It has the chemical formula C23H36N6O5S. As an antithrombotic agent, Argatroban acts as an inhibitor of the protein target Prothrombin (F2). The compound is administered via intravenous exposure. It has been recorded in four sources, including amplifiers in electrical and electronic equipment, household cleaning and consumer products such as other smoking requisites and non-electric simulated smoking devices, as well as healthcare, pharmaceuticals, and veterinary products. C23H36N6O5S 508.634 508.246788982 (2R,4R)-1-[(2S)-5-[(diaminomethylidene)amino]-2-[(3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido]pentanoyl]-4-methylpiperidine-2-carboxylic acid argatroban 74863-84-6 C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C1=CC=CC2=C1NC[C@H](C)C2 InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15-,17+,18-/m1/s1 KXNPVXPOPUZYGB-XYVMCAHJSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Dipeptides Alpha amino acid amides Amino acids Aminosulfonyl compounds Aralkylamines Azacyclic compounds Benzenoids Carbonyl compounds Carboximidamides Carboxylic acids Guanidines Hydrocarbon derivatives Hydroquinolines Monocarboxylic acids and derivatives N-acylpiperidines Organic oxides Organopnictogen compounds Organosulfonamides Piperidinecarboxylic acids Propargyl-type 1,3-dipolar organic compounds Secondary alkylarylamines Tertiary carboxylic acid amides Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Aminosulfonyl compound Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboximidamide Carboxylic acid Guanidine Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-piperidine Organic 1,3-dipolar compound 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 Piperidine Piperidinecarboxylic acid Propargyl-type 1,3-dipolar organic compound Secondary aliphatic/aromatic amine Secondary amine Sulfonyl Tertiary carboxylic acid amide Tetrahydroquinoline Aromatic heteropolycyclic compounds Detected and Not Quantified Argatroban. SMP0000276 Argatroban Action Pathway SMP0126440 Argatroban Drug Metabolism Action Pathway SMP0142738 logp -0.92 logp 0.19 ALOGPS logs -3.36 ALOGPS solubility 2.21e-01 g/l ALOGPS logp -0.97 ChemAxon pka_strongest_acidic 3.07 ChemAxon pka_strongest_basic 10.91 ChemAxon iupac (2R,4R)-1-[(2S)-5-[(diaminomethylidene)amino]-2-[(3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido]pentanoyl]-4-methylpiperidine-2-carboxylic acid ChemAxon average_mass 508.634 ChemAxon mono_mass 508.246788982 ChemAxon smiles C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C1=CC=CC2=C1NC[C@H](C)C2 ChemAxon formula C23H36N6O5S ChemAxon inchi InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15-,17+,18-/m1/s1 ChemAxon inchikey KXNPVXPOPUZYGB-XYVMCAHJSA-N ChemAxon polar_surface_area 180.21 ChemAxon refractivity 133.54 ChemAxon polarizability 53.9 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726c7296c0> DB00278 440542 389444 BE0000048