(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
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![(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ca70a37ff9074bf4a4bcb17b4648133a.png "(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid")
(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
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CAS No:
121785-72-6
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Formula:
C23H36N6O5S
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Chemical Name:
(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
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Synonyms:
(21R)-argatroban;(21R)-argatroban anhydrous;(21S)-argatroban;(21S)-argatroban anhydrous;(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;(2R,4R)-1-((2S)-5-((aminoiminomethyl)amino)-1-oxo-2-((((3S)-1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-2-piperidinecarboxylic acid;(2R,4R)-1-(5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-2-piperidinecarboxylic acid;(2R,4R)-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;Acova;argatroban;argatroban anhydrous;argatroban hydrate;argatroban monohydrate;MCI 9038;MCI-9038;MD 805;MD-805;MD805;MMTQAP;MPQA;Novastan;21S-Argatroban;(21S)-Argatroban;UNII-4YBM839JAC;121785-72-6;4YBM839JAC;CHEMBL502016;(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid;(2r,4r)-4-Methyl-1-(N~2~-{[(3s)-3-Methyl-1,2,3,4-Tetrahydroquinolin-8-Yl]sulfonyl}-L-Arginyl)piperidine-2-Carboxylic Acid;21S-Argatroban anhydrous;S-argatroban;1dwc;15U;Argatroban anhydrous, 21S-;SCHEMBL3175687;ZINC3917722;BDBM50462132;2-Piperidinecarboxylic acid, 1-((2S)-5-((aminoiminomethyl)amino)-1-oxo-2-((((3S)-1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-, (2R,4R)-;A11774;Q27260670;UNII-OCY3U280Y3 component KXNPVXPOPUZYGB-MXSMSXNCSA-N;(2R,4R)-1-[(2S)-5-(diaminomethylideneazaniumyl)-2-[[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylate;(2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic
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CAS No:
(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid Basic Attributes
508.6 g/mol
508.24678944 g/mol
4YBM839JAC
Drug Information
Endogenous factors and drugs that directly inhibit the action of THROMBIN, usually by blocking its enzymatic activity. They are distinguished from INDIRECT THROMBIN INHIBITORS, such as HEPARIN, which act by enhancing the inhibitory effects of antithrombins. (See all compounds classified as Antithrombins.)|Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)
(21R)-argatroban
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
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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