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Substance Name: Isonicotinamide, N-(2-(1-adamantyl)ethyl)-, 1-oxide, hydrochloride
RN: 61876-39-9
InChIKey: WGWFHDMUJQZGDB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H24-N2-O2.Cl-H

Molecular Weight

  • 336.861
 
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Names and Synonyms

Synonym

  • N-(2-(1-Adamantyl)ethyl)isonicotinamide 1-oxide hydrochloride

Systematic Name

  • Isonicotinamide, N-(2-(1-adamantyl)ethyl)-, 1-oxide, hydrochloride

Registry Numbers

CAS Registry Number

  • 61876-39-9

System Generated Number

  • 0061876399

Molecular Formulas

Molecular Formula

  • C18-H24-N2-O2.Cl-H

Molecular Formula Fragments

  • C18-H24-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H24N2O2.ClH/c21-17(16-1-5-20(22)6-2-16)19-4-3-18-10-13-7-14(11-18)9-15(8-13)12-18;/h1-2,5-6,13-15H,3-4,7-12H2,(H,19,21);1H

InChIKey

WGWFHDMUJQZGDB-UHFFFAOYSA-N

Smiles

Cl.C1C2CC3CC1CC(C3)(C2)CCNC(c1ccn(cc1)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 225mg/kg (225mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 1036, 1976.