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Substance Name: 21S-Argatroban hydrate
RN: 1050351-64-8
UNII: LLV7G55828
InChIKey: AIEZTKLTLCMZIA-RZLLGALYSA-N

Molecular Formula

  • C23-H36-N6-O5-S.H2-O

Molecular Weight

  • 526.6552
 
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Names and Synonyms

Results Name

  • 21S-Argatroban hydrate

Name of Substance

  • Argatroban, 21S-

Synonyms

  • 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-, hydrate (1:1), (2R,4R)-
  • 21S-Argatroban
  • UNII-LLV7G55828

Registry Numbers

CAS Registry Number

  • 1050351-64-8

FDA UNII

  • LLV7G55828

System Generated Number

  • 1050351648

Structure Descriptors

InChI

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

InChIKey

AIEZTKLTLCMZIA-RZLLGALYSA-N

Smiles

C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c2cccc3c2NC[C@H](C3)C.O