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Substance Name: 4-(Beta-amidinoethenyl)phenyl-4-guanidinobenzoate dimethanesulfonate
RN: 80251-33-8
InChIKey: QTBJWZSUWMMLLD-PRAOPCELSA-N

Note

  • Inhibitor of trypsin, plasmin, pancreatic & plasma kallikrein & thrombin; strongly inhibits esterolytic activities of C1r & C1 esterase complement-mediated hemolysis.

Molecular Formula

  • C17-H17-N5-O2.2C-H4-O3-S

Molecular Weight

  • 515.5655
 
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Names and Synonyms

Name of Substance

  • 4-(Beta-amidinoethenyl)phenyl-4-guanidinobenzoate dimethanesulfonate

Synonyms

  • 4-(beta-Amidinoethenyl)phenyl-4-guanidinobenzoate
  • 4-(beta-Amidinoethenyl)phenyl-4-guanidinobenzoate dimethanesulfonate
  • Fut 5895

Systematic Name

  • Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(3-amino-3-imino-1-propenyl)phenyl ester, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 80251-33-8

System Generated Number

  • 0080251338

Molecular Formulas

Molecular Formula

  • C17-H17-N5-O2.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C17-H17-N5-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C17H17N5O2.2CH4O3S/c18-15(19)10-3-11-1-8-14(9-2-11)24-16(23)12-4-6-13(7-5-12)22-17(20)21;2*1-5(2,3)4/h1-10H,(H3,18,19)(H4,20,21,22);2*1H3,(H,2,3,4)/b10-3+;;

InChIKey

QTBJWZSUWMMLLD-PRAOPCELSA-N

Smiles

CS(=O)(=O)O.CS(=O)(=O)O.c1cc(ccc1/C=C/C(=N)N)OC(=O)c2ccc(cc2)NC(=N)N