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Substance Name: Benzoic acid, 2-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans-
RN: 105600-96-2
InChIKey: TWLWASGMCDKHTA-UBRLZZGHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H26-N4-O3.Cl-H

Molecular Weight

  • 382.8893
 
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Names and Synonyms

  • Benzoic acid, 2-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans-

Registry Numbers

CAS Registry Number

  • 105600-96-2

System Generated Number

  • 0105600962

Molecular Formulas

Molecular Formula

  • C18-H26-N4-O3.Cl-H

Molecular Formula Fragments

  • C18-H26-N4-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H26N4O3.ClH/c1-2-25-17(24)14-5-3-4-6-15(14)22-16(23)13-9-7-12(8-10-13)11-21-18(19)20;/h3-6,12-13H,2,7-11H2,1H3,(H,22,23)(H4,19,20,21);1H/t12-,13-;

InChIKey

TWLWASGMCDKHTA-UBRLZZGHSA-N

Smiles

CCOC(=O)c1c(cccc1)NC(=O)[C@H]2CC[C@@H](CC2)CNC(=N)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 600mg/kg (600mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 41, Pg. 522, 1993.
mouse LDLo oral 8gm/kg (8000mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 41, Pg. 522, 1993.