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Substance Name: Benzoic acid, 4-((4,5-dihydro-1H-imidazol-2-yl)amino)-, 6-(aminoiminomethyl)-2-naphthalenylester, dihydrochloride
RN: 103926-81-4
InChIKey: UZSRZRTXXNHZPD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H19-N5-O2.2Cl-H

Molecular Weight

  • 446.3359
 
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Names and Synonyms

Synonym

  • 6-Amidino-2-naphthyl 4-(2-imidazolinyl)amino benzoate dihydrochloride

Systematic Name

  • Benzoic acid, 4-((4,5-dihydro-1H-imidazol-2-yl)amino)-, 6-(aminoiminomethyl)-2-naphthalenylester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 103926-81-4

System Generated Number

  • 0103926814

Molecular Formulas

Molecular Formula

  • C21-H19-N5-O2.2Cl-H

Molecular Formula Fragments

  • C21-H19-N5-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H19N5O2.2ClH/c22-19(23)16-2-1-15-12-18(8-5-14(15)11-16)28-20(27)13-3-6-17(7-4-13)26-21-24-9-10-25-21;;/h1-8,11-12H,9-10H2,(H3,22,23)(H2,24,25,26);2*1H

InChIKey

UZSRZRTXXNHZPD-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(=O)Oc2ccc3cc(ccc3c2)C(=N)N)NC4=NCCN4.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 19mg/kg (19mg/kg)   United States Patent Document. Vol. #4820730,
mouse LD50 oral > 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #4820730,