Argatroban

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Argatroban structure
Structural Feature
Piperidine carboxylic acid scaffold
Reactive Feature
Guanidine group Sulfonamide
Synthesis Role
Thrombin inhibitor
Application Context
Active pharmaceutical molecule
CAS Number74863-84-6
Product CodeSL1113016
Molecular FormulaC23H36N6O5S
Molecular Weight508.6
AppearanceWhite to off-white crystalline powder
Melting Point188-189 °C
Boiling Point777.2±70.0 °C (Predicted)
Density1.47±0.1 g/cm³ (Predicted)
SMILESC[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C
InChIKeyKXNPVXPOPUZYGB-IOVMHBDKSA-N
DescriptionArgatroban, an arginine-derived direct thrombin inhibitor. Selectively binds the thrombin active site; used for heparin-induced thrombocytopenia treatment.
ApplicationsAPI; anticoagulant; thrombin inhibitor

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