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Argatroban Monohydrate

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For Research Use Only | Not For Clinical Use
CATAPS141396283
CAS141396-28-3
Structure
SynonymsArgatroban Compound A, [2R-[1(2S*),2α,4β]]-[partial]-1-[5-[(Aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylic acid monohydrate, (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 monohydrate, Argatroban Monohydrate, Argatroban Compound I, Argatroban monohydrate, Argatroban Compound G,(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 hydrate (1:1)
IUPAC Name(2R,4R)-1-[(2S)-5-carbamimidamido-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid;hydrate
Molecular Weight526.65
Molecular FormulaC23H36N6O5S.H2O
Canonical SMILESO.C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c2cccc3CC(C)CNc23
InChIInChI=1S/C23H36N6O5S.H2O/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19;/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26);1H2/t14-,15?,17+,18-;/m1./s1
Description≥98% (HPLC)
SolubilityDMSO: ≥20 mg/mL
Accurate Mass526.2574
API FamilyMatrix - API Family Argatroban Monohydrate
Assay≥98% (HPLC)
Colorwhite to off-white
FormatNeat
Product TypeAPI
ShippingRoom Temperature
Size5MG, 25MG
Storage Conditions+5°C
SubcategoryMikromol, API standards, Anticoagulants
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