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Substance Name: Melagatran [INN]
RN: 159776-70-2
UNII: 2A9QP32MD4
InChIKey: DKWNMCUOEDMMIN-PKOBYXMFSA-N

Note

  • Ximelagatran is a prodrug that is hydroxylated to melagatran as active thrombin inhibitor.

Molecular Formula

  • C22-H31-N5-O4

Molecular Weight

  • 429.518
 

Classification Codes

  • Anticoagulants
  • Antithrombins
  • Enzyme Inhibitors
  • Hematologic Agents
  • Protease Inhibitors
  • Serine Proteinase Inhibitors
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Names and Synonyms

Name of Substance

  • Melagatran
  • Melagatran [INN]

Synonyms

  • Melagatran
  • N-((R)-(((2S)-2-((-p-Amidobenzyl)carbamoyl)-1-azetidinyl)carbonyl)cyclohexylmethyl)glycine
  • N-((R)-(((2S)-2-((p-Amidinobenzyl)carbamoyl)-1-azetidinyl)carbonyl)cyclohexylmethyl)glycine
  • UNII-2A9QP32MD4

Systematic Names

  • Glycine, N-((1R)-2-((2S)-2-((((4-(aminoiminomethyl)phenyl)methyl)amino)carbonyl)-1-azetidinyl)-1-cyclohexyl-2-oxoethyl)-
  • Glycine, N-(2-(2-((((4-(aminoiminomethyl)phenyl)methyl)amino)carbonyl)-1-azetidinyl)-1-cyclohexyl-2-oxoethyl)-, (S-(R*,S*))-

Registry Numbers

CAS Registry Number

  • 159776-70-2

FDA UNII

  • 2A9QP32MD4

System Generated Number

  • 0159776702

Structure Descriptors

InChI

1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1

InChIKey

DKWNMCUOEDMMIN-PKOBYXMFSA-N

Smiles

C(=O)(O)CN[C@@H](C(N1[C@@H](CC1)C(=O)NCc1ccc(cc1)C(N)=N)=O)C1CCCCC1