Argatroban

Argatroban structure
Reactive Feature
Synthesis Role
Application Context
CAS Number74863-84-6
Molecular FormulaC23H36N6O5S
Molecular Weight508.60 g/mol
AppearanceWhite to off-white crystalline powder
Melting Point188-189 °C
SMILESCC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1
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

Calculated / Predicted Properties

Estimated Boiling Point777.2 °C (predicted)
Estimated Density1.47 g/cm³ (predicted)