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Substance Name: Nicotinic acid, 1-adamantylmethyl ester, N-oxide
RN: 64140-44-9
InChIKey: MRJWLNMHQYXDKI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N-O3

Molecular Weight

  • 287.357
 
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Names and Synonyms

Synonyms

  • 1-Adamantylmethyl nicotinate N-oxide
  • 3-Pyridinecarboxylic acid, tricyclo(3.3.1.1(sup 3,7))dec-1-ylmethyl ester, 1-oxide
  • 5-22-02-00140 (Beilstein Handbook Reference)
  • BRN 0415902

Systematic Name

  • Nicotinic acid, 1-adamantylmethyl ester, N-oxide

Registry Numbers

CAS Registry Number

  • 64140-44-9

System Generated Number

  • 0064140449

Structure Descriptors

InChI

1S/C17H21NO3/c19-16(15-2-1-3-18(20)10-15)21-11-17-7-12-4-13(8-17)6-14(5-12)9-17/h1-3,10,12-14H,4-9,11H2

InChIKey

MRJWLNMHQYXDKI-UHFFFAOYSA-N

Smiles

C1C2CC3CC1CC(C3)(C2)COC(c1cn(ccc1)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 11, Pg. 795, 1977.
mouse LD50 intraperitoneal 500mg/kg (500mg/kg) IMMUNOLOGICAL INCLUDING ALLERGIC: INCREASED IMMUNE RESPONSE Pharmaceutical Chemistry Journal Vol. 11, Pg. 795, 1977.