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Substance Name: Napsagatran [USAN:INN]
RN: 159668-20-9
UNII: VL5IZU8PF8
InChIKey: TYAMPCPJIDBUQW-ZLLYMXMVSA-N

Classification Code

  • Antithrombotic

Molecular Formula

  • C26-H34-N6-O6-S.H2-O

Molecular Weight

  • 576.6714
 
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Names and Synonyms

Name of Substance

  • Napsagatran [USAN:INN]

Synonyms

  • Glycine, N-(N-((1-(aminoiminomethyl)-3-piperidinyl)methyl)-N(sup 2)-(2-naphthalenylsulfonyl)-L-asparaginyl)-N-cyclopropyl-, monohydrate, (S)-
  • N-(N(sup 4)-(((3S-1-Amidino-3-piperidyl)methyl)-N(sup 2)-(2-naphthylsulfonyl)-L-asparaginyl)-N-cyclopropylglycine monohydrate
  • Napsagatran
  • Ro 46-6240/010
  • UNII-VL5IZU8PF8

Systematic Name

  • Glycine, N-(N-((1-(aminoiminomethyl)-3-piperidinyl)methyl)-(sup 2)N-(2-naphthalenylsulfonyl)-L-asparaginyl)-N-cyclopropyl-, monohydrate, (S)-

Registry Numbers

CAS Registry Number

  • 159668-20-9

FDA UNII

  • VL5IZU8PF8

System Generated Number

  • 0159668209

Molecular Formulas

Molecular Formula

  • C26-H34-N6-O6-S.H2-O

Molecular Formula Fragments

  • C26-H34-N6-O6-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H34N6O6S.H2O/c27-26(28)31-11-3-4-17(15-31)14-29-23(33)13-22(25(36)32(16-24(34)35)20-8-9-20)30-39(37,38)21-10-7-18-5-1-2-6-19(18)12-21;/h1-2,5-7,10,12,17,20,22,30H,3-4,8-9,11,13-16H2,(H3,27,28)(H,29,33)(H,34,35);1H2/t17-,22-;/m0./s1

InChIKey

TYAMPCPJIDBUQW-ZLLYMXMVSA-N

Smiles

c1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](CC(=O)NC[C@@H]3CCCN(C3)C(=N)N)C(=O)N(CC(=O)O)C4CC4.O