Argatroban monohydrateProduct ingredient for Argatroban
- Name
- Argatroban monohydrate
- Drug Entry
- Argatroban
Argatroban is a direct, selective thrombin inhibitor. The American College of Cardiologists (ACC) recommend using bivalirudin or argatroban in patients who have had, or at risk for, heparin induced thrombocytopenia (HIT) and are undergoing percutaneous coronary intervention. Argatroban is a non-heparin anticoagulant shown to both normalize platelet count in patients with HIT and prevent the formation of thrombi. Parental anticoagulants must be stopped and a baseline activated partial thromboplastin time must be obtained prior to administering argatroban.
- Accession Number
- DBSALT001826
- Structure
- Synonyms
- Argatroban hydrate
- UNII
- IY90U61Z3S
- CAS Number
- 141396-28-3
- Weight
- Average: 526.65
Monoisotopic: 526.257354142 - Chemical Formula
- C23H38N6O6S
- InChI Key
- AIEZTKLTLCMZIA-CZSXTPSTSA-N
- InChI
- InChI=1S/C23H36N6O5S.H2O/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);1H2/t14-,15?,17+,18-;/m1./s1
- IUPAC Name
- (2R,4R)-1-[(2S)-5-carbamimidamido-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl]-4-methylpiperidine-2-carboxylic acid hydrate
- SMILES
- O.[H][C@@](CCCNC(N)=N)(NS(=O)(=O)C1=CC=CC2=C1NCC([H])(C)C2)C(=O)N1CC[C@@]([H])(C)C[C@]1([H])C(O)=O
- External Links
- ChemSpider
- 83701
- Predicted Properties
Property Value Source Water Solubility 0.168 mg/mL ALOGPS logP 0.04 ALOGPS logP -0.92 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 3.06 Chemaxon pKa (Strongest Basic) 11.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 177.71 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 143.83 m3·mol-1 Chemaxon Polarizability 52.6 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon