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Substance Name: 2-Furancarboxylic acid, 5-(((aminoiminomethyl)amino)methyl)-, 6-(aminoiminomethyl)-2-naphthalenyl ester, dimethylsulfonate
RN: 103245-63-2
InChIKey: TZFSPFQHIZTHCX-STGDPABWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-N5-O3.2C-H4-O3-S

Molecular Weight

  • 543.576
 
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Names and Synonyms

Synonym

  • 6-Amidino-2-naphthyl-5-guanidinomethyl-furan-2-carboxylate dimethanesulfonate

Systematic Name

  • 2-Furancarboxylic acid, 5-(((aminoiminomethyl)amino)methyl)-, 6-(aminoiminomethyl)-2-naphthalenyl ester, dimethylsulfonate

Registry Numbers

CAS Registry Number

  • 103245-63-2

System Generated Number

  • 0103245632

Molecular Formulas

Molecular Formula

  • C18-H17-N5-O3.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C18-H17-N5-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C18H17N5O3.2CH4O3S/c19-22-9-12-1-2-14-8-15(4-3-13(14)7-12)26-18(24)17-6-5-16(25-17)10-21-11-23-20;2*1-5(2,3)4/h1-9,11H,10,19-20H2,(H,21,23);2*1H3,(H,2,3,4)/b22-9+;;

InChIKey

TZFSPFQHIZTHCX-STGDPABWSA-N

Smiles

c12c(cc(cc2)\C=[N+]\N)ccc(c1)OC(=O)c1oc(CN\C=[N+]\N)cc1.S(C)(=O)(=O)[O-].S(C)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4563527,
mouse LD50 oral 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4563527,