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Substance Name: Nicotinamide, N-(p-(1-adamantyl)phenyl)-, 1-oxide, hydrochloride
RN: 61876-40-2
InChIKey: QYJNBVGVCPBJPV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-N2-O2.Cl-H

Molecular Weight

  • 384.905
 
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Names and Synonyms

Synonyms

  • 3-Pyridinecarboxamide, N-(4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl)-, 1-oxide, HCl
  • N-(p-(1-Adamantyl)phenyl)nicotinamide 1-oxide hydrochloride

Systematic Name

  • Nicotinamide, N-(p-(1-adamantyl)phenyl)-, 1-oxide, hydrochloride

Registry Numbers

CAS Registry Number

  • 61876-40-2

System Generated Number

  • 0061876402

Molecular Formulas

Molecular Formula

  • C22-H24-N2-O2.Cl-H

Molecular Formula Fragments

  • C22-H24-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H24N2O2.ClH/c25-21(18-2-1-7-24(26)14-18)23-20-5-3-19(4-6-20)22-11-15-8-16(12-22)10-17(9-15)13-22;/h1-7,14-17H,8-13H2,(H,23,25);1H

InChIKey

QYJNBVGVCPBJPV-UHFFFAOYSA-N

Smiles

Cl.C1C2CC3CC1CC(C3)(C2)c1ccc(NC(c2cccn(c2)=O)=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 700mg/kg (700mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 1036, 1976.