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21R-Argatroban

21R-Argatroban structure

CAS No:
121785-71-5
Formula:
C23H36N6O5S
Chemical Name:
21R-Argatroban
Synonyms:
(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methyl-piperidine-2-carboxylic acid;Argatroban;(2R,4R)-1-[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methyl-piperidine-2-carboxylic acid;(2R,4R)-1-[(2S)-5-guanidino-2-[[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methyl-pipecolinic acid;21R-Argatroban;(2R,4R)-1-[(2S)-5-[(AMinoiMinoMethyl)aMino]-1-oxo-2-[[[(3R)-1,2,3,4-tetrahydro-3-Methyl-8-quinolinyl]sulfonyl]aMino]pentyl]-4-Methyl-2-piperidinecarboxylic Acid;2-Piperidinecarboxylicacid,1-[(2S)-5-[(aminoiminomethyl)amino]-1-oxo-2-[[[(3R)-1,2,3,4-tetrahydro-3-methyl-8-quinolinyl]sulfonyl]amino]pentyl]-4-methyl-,(2R,4R)-
Categories:
Active Pharmaceutical Ingredients > Blood System Drugs

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21R-Argatroban Basic Attributes

Molecular Weight：

508.63

Exact Mass：

508.246796

HScode：

2935009090

Characteristics

PSA：

186.09000

XLogP3：

2.56

Appearance：

Solid

Density：

1.47±0.1 g/cm3(Predicted)

Boiling Point：

777.2±70.0 °C(Predicted)

Flash Point：

438.4±37.1 °C

Refractive Index：

1.674

Water Solubility：

2.21e-01 g/L

21R-Argatroban Use and Manufacturing

The 21R-stereoisomer

Computed Properties

Molecular Weight:508.6
XLogP3:1.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:508.24678944
Monoisotopic Mass:508.24678944
Topological Polar Surface Area:189
Heavy Atom Count:35
Complexity:887
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes