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Substance Name: Argatroban M4 metabolite
RN: 107946-30-5
UNII: 87TOP89YPP
InChIKey: IHHNDXAUDQQINR-IOVMHBDKSA-N

Molecular Formula

  • C23-H36-N6-O6-S

Molecular Weight

  • 524.6394
 
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Names and Synonyms

Results Name

  • Argatroban M4 metabolite

Name of Substance

  • 1-(((1-Hydroxy-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl)-L-arginyl)-4-methylpiperidine-2-carboxylic acid, (2R,4R)-

Synonyms

  • (2R,4R)-1-(((1-Hydroxy-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl)-L-arginyl)-4-methylpiperidine-2-carboxylic acid
  • 1-(((1-Hydroxy-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl)-L-arginyl)-4-methylpiperidine-2-carboxylic acid, (2R,4R)-
  • 2-Piperidinecarboxylic acid, 1-(5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro-1-hydroxy-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-
  • Argatroban M4 metabolite
  • UNII-87TOP89YPP

Registry Numbers

CAS Registry Number

  • 107946-30-5

FDA UNII

  • 87TOP89YPP

System Generated Number

  • 0107946305

Structure Descriptors

InChI

1S/C23H36N6O6S/c1-14-8-10-28(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)27-36(34,35)19-7-3-5-16-11-15(2)13-29(33)20(16)19/h3,5,7,14-15,17-18,27,33H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1

InChIKey

IHHNDXAUDQQINR-IOVMHBDKSA-N

Smiles

C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c2cccc3c2N(CC(C3)C)O