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Substance Name: Ximelagatran [USAN:INN]
RN: 192939-46-1
UNII: 49HFB70472
InChIKey: ZXIBCJHYVWYIKI-PZJWPPBQSA-N

Note

  • Prodrug (via hydroxylation) of melagatran & a direct thrombin inhibitor; liver toxicity concerns so AZD0837 being developed to replace this.

Molecular Formula

  • C24-H35-N5-O5

Molecular Weight

  • 473.5705
 

Classification Codes

  • Anticoagulant
  • Anticoagulants
  • Antithrombins
  • Antithrombotic Agent
  • Enzyme Inhibitors
  • Hematologic Agents
  • Protease Inhibitors
  • Serine Proteinase Inhibitors
  • Thrombin Inhibitor
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Names and Synonyms

Name of Substance

  • Ximelagatran
  • Ximelagatran [USAN:INN]

Synonyms

  • Ethyl (((1R)-1-cyclohexyl-2-((2S)-2-((4-(hydroxycarbamimidoyl)benzyl)carbamoyl)azetidin-1-yl-2-oxoethyl)amino)acetate
  • Exanta
  • Exanta (proposed)
  • Glycine, N-((1)1-cyclohexyl-2-((2)-((((4-(amino(hydroxyimino)methyl)phenyl)methyl)amino)carbonyl)-1-azetidinyl)2-oxoethyl)-, ethyl ester
  • Glycine, N-((1R)-1-cyclohexyl-2-((2S)-2-((((4-(hydroxyamino)iminomethyl)phenyl)methyl)amino)carbonyl)-1-azetidinyl)-2-oxoethyl)-, ethyl ester
  • H 376-95
  • H 376/95
  • H 37695
  • UNII-49HFB70472
  • Ximelagatran

Systematic Names

  • Ethyl (((1R)-1-cyclohexyl-2-((2S)-2-((4-(hydroxycarbamimidoyl)benzyl)carbamoyl)azetidin-1-yl-2-oxoethyl)amino)acetate
  • Glycine, N-((1R)-1-cyclohexyl-2-((2S)-2-((((4-((hydroxyamino)iminomethyl)phenyl)methyl)amino)carbonyl)-1-azetidinyl)-2-oxoethyl)-, ester ester

Registry Numbers

CAS Registry Number

  • 192939-46-1

FDA UNII

  • 49HFB70472

System Generated Number

  • 0192939461

Structure Descriptors

InChI

1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1

InChIKey

ZXIBCJHYVWYIKI-PZJWPPBQSA-N

Smiles

CCOC(=O)CN[C@H](C1CCCCC1)C(=O)N2CC[C@H]2C(=O)NCc3ccc(cc3)/C(=N/O)/N