141396-28-3
Product Name:
Argatroban
Formula:
C23H38N6O6S
Synonyms:
(2R,4R)-1-[(2S)-5-[(Aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylic Acid;Argipidine;MQPA
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CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Crystals from ethanol |
|---|---|
| Melting Point | 188-191 °C |
| Stability/Shelf Life | Stable under recommended storage conditions. /Argatroban monohydrate/ |
| pH | pH 8.8 (Argatroban solution) |
| Other Experimental Properties | Crystals from aqueous ethanol; MP: 276-280 °C. Specific optical rotation: +76.1 deg at 27 °C/D (c = 1 in 0.2N HCl) /Argatroban monohydrate/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 526.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 9 |
| Exact Mass | 526.25735413 g/mol |
| Monoisotopic Mass | 526.25735413 g/mol |
| Topological Polar Surface Area | 190 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 887 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Argatroban is an Anti-coagulant and Direct Thrombin Inhibitor. The mechanism of action of argatroban is as a Thrombin Inhibitor.