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Substance Name: Argatroban M1 metabolite
RN: 951130-92-0
UNII: 7RD48GA3UA
InChIKey: YVJTZYSQJWCWQO-FHLIZLRMSA-N

Molecular Formula

  • C23-H32-N6-O5-S

Molecular Weight

  • 504.6088
 
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Names and Synonyms

Name of Substance

  • Argatroban M1 metabolite

Synonyms

  • (2R,4R)-1-((2S)-5-(Diaminomethylideneamino)-2-((3-methylquinolin-8-yl)sulfonylamino)pentanoyl)-4-methylpiperidine-2-carboxylic acid
  • (2R,4R)-1-(N5-(Diaminomethylene)-N2-((3-methyl-8-quinolinyl)sulfonyl)-L-ornithyl)-4-methyl-2-piperidinecarboxylic acid
  • 2-Piperidinecarboxylic acid, 1-((2S)-5-((aminoiminomethyl)amino)-2-(((3-methyl-8-quinolinyl)sulfonyl)amino)-1-oxopentyl)-4-methyl-, (2R,4R)-
  • Argatroban M1 metabolite
  • UNII-7RD48GA3UA

Registry Numbers

CAS Registry Number

  • 951130-92-0

FDA UNII

  • 7RD48GA3UA

System Generated Number

  • 0951130920

Structure Descriptors

InChI

1S/C23H32N6O5S/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/h3,5,7,11,13-14,17-18,28H,4,6,8-10,12H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,17+,18-/m1/s1

InChIKey

YVJTZYSQJWCWQO-FHLIZLRMSA-N

Smiles

Cc1cc2cccc(c2nc1)S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N3CC[C@H](C[C@@H]3C(=O)O)C