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Substance Name: (2S)-2-(4-(((3S)-1-acetimidoyl-3-pyrrolidinyl)oxy)phenyl)-3-(7-amidino-2-naphtyl)propanoic acid
RN: 155204-81-2
InChIKey: LJCBAPRMNYSDOP-LVCYMWGESA-N

Classification Codes

  • Anticoagulants
  • Enzyme Inhibitors
  • Hematologic Agents
  • Platelet Aggregation Inhibitors
  • Protease Inhibitors
  • Serine Proteinase Inhibitors

Molecular Formula

  • C26-H28-N4-O3.Cl-H.5H2-O

Molecular Weight

  • 571.067
 
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Names and Synonyms

Name of Substance

  • (2S)-2-(4-(((3S)-1-acetimidoyl-3-pyrrolidinyl)oxy)phenyl)-3-(7-amidino-2-naphtyl)propanoic acid

Synonyms

  • (S-(R*,R*))-7-(Aminoiminomethyl)-alpha-(4-((1-(1-iminoethyl)-3-pyrrolidinyl)oxy)phenyl)-2-naphthalenepropanoic acid monohydrochloride, pentahydrate
  • 2-(4-((1-Acetimidoyl-3-pyrrolidinyl)oxy)phenyl)-3-(7-amidino-2-naphthyl)propanoic acid hydrocloride pentahydrate
  • DX-9065a

Systematic Name

  • 2-Naphthalenepropanoic acid, 7-(aminoiminomethyl)-alpha-(4-((1-(1-iminoethyl)-3-pyrrolidinyl)oxy)phenyl)-, monohydrochloride, pentahydrate, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 155204-81-2

System Generated Number

  • 0155204812

Molecular Formulas

Molecular Formula

  • C26-H28-N4-O3.Cl-H.5H2-O

Molecular Formula Fragments

  • C26-H28-N4-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H28N4O3.ClH.5H2O/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17;;;;;;/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32);1H;5*1H2/t23-,24-;;;;;;/m0....../s1

InChIKey

LJCBAPRMNYSDOP-LVCYMWGESA-N

Smiles

N1(C(=N)C)C[C@@H](Oc2ccc([C@@H](C(=O)O)Cc3cc4cc(C(=N)N)ccc4cc3)cc2)CC1.Cl.O.O.O.O.O