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Substance Name: Benzoic acid, 4-(aminomethyl)-, 6-(aminoiminomethyl)-2-naphthalenyl ester, dimethanesulfonate
RN: 82956-02-3
InChIKey: IKHXKNHEMGSPQB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H17-N3-O2.2C-H3-O4-S

Molecular Weight

  • 511.5735
 
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Names and Synonyms

Synonyms

  • 6-(Aminoiminomethyl)-2-naphthalenyl 4-(aminomethyl)benzoate dimethanesulfonate
  • 6-Amidino-2-naphthyl-4-aminomethylbenzoate dimethanesulfonate

Systematic Name

  • Benzoic acid, 4-(aminomethyl)-, 6-(aminoiminomethyl)-2-naphthalenyl ester, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 82956-02-3

System Generated Number

  • 0082956023

Molecular Formulas

Molecular Formula

  • C19-H17-N3-O2.2C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C19-H17-N3-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C19H17N3O2.2CH4O3S/c20-11-12-1-3-13(4-2-12)19(23)24-17-8-7-14-9-16(18(21)22)6-5-15(14)10-17;2*1-5(2,3)4/h1-10H,11,20H2,(H3,21,22);2*1H3,(H,2,3,4)

InChIKey

IKHXKNHEMGSPQB-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.CS(=O)(=O)O.c1cc(ccc1CN)C(=O)Oc2ccc3cc(ccc3c2)C(=N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 200mg/kg (200mg/kg)   United States Patent Document. Vol. #4532255,
mammal (species unspecified) LD50 oral 2500mg/kg (2500mg/kg)   United States Patent Document. Vol. #4532255,