74863-84-6
Product Name:
Argatroban
Formula:
C23H36N6O5S
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;Argatroban monohydrate;Argipidine;MQPA
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Crystals from ethanol |
|---|---|
| Melting Point | 188-191 °C |
| LogP | 1 |
| 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/ |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H311:Acute toxicity,dermal H331:Acute toxicity,inhalation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P310:Immediately call a POISON CENTER or doctor/physician. P330:Rinse mouth. P361:Remove/Take off immediately all contaminated clothing. P302+P352:IF ON SKIN: wash with plenty of soap and water. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 508.6 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 508.24678944 g/mol |
| Monoisotopic Mass | 508.24678944 g/mol |
| Topological Polar Surface Area | 189 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 887 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid is a peptide.