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Substance Name: 4-Azatricyclo(4.3.1.1(sup 3,8))undecane, 4-(2-guanidinoethyl)-, dihydrochloride
RN: 32537-26-1
InChIKey: FYDKDHNIHUHBJG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H24-N4.2Cl-H

Molecular Weight

  • 309.282
 
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Names and Synonyms

Synonyms

  • 4-(2-Guanidinoethyl)-4-azahomoadamantane dihydrochloride
  • 4-(2-Guanidinoethyl)-4-azatricyclo(4.3.1.1(sup 3,8))undecane dihydrochloride
  • Guanidine, 1-(2-(4-azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)ethyl)-, dihydrochloride

Systematic Name

  • 4-Azatricyclo(4.3.1.1(sup 3,8))undecane, 4-(2-guanidinoethyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 32537-26-1

System Generated Number

  • 0032537261

Molecular Formulas

Molecular Formula

  • C13-H24-N4.2Cl-H

Molecular Formula Fragments

  • C13-H24-N4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H24N4.2ClH/c14-13(15)16-2-1-12-10-4-8-3-9(5-10)7-11(6-8)17-12;;/h8-12,17H,1-7H2,(H4,14,15,16);2*1H

InChIKey

FYDKDHNIHUHBJG-UHFFFAOYSA-N

Smiles

Cl.Cl.N1C2C[C@@H]3C[C@@H](CC([C@@H]1CCNC(N)=N)C3)C2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 411, 1971.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 411, 1971.