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Substance Name: 3-Adamantanecarboxylic acid, 1-(p-tolyl)-
RN: 56531-69-2
InChIKey: UWPMIBVQZDSYNA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-O2

Molecular Weight

  • 270.37
 
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Names and Synonyms

Synonyms

  • 1-(p-Tolyl)-3-adamantanecarboxylic acid
  • BRN 2385288

Systematic Name

  • 3-Adamantanecarboxylic acid, 1-(p-tolyl)-

Registry Numbers

CAS Registry Number

  • 56531-69-2

System Generated Number

  • 0056531692

Structure Descriptors

InChI

1S/C18H22O2/c1-12-2-4-15(5-3-12)17-7-13-6-14(8-17)10-18(9-13,11-17)16(19)20/h2-5,13-14H,6-11H2,1H3,(H,19,20)

InChIKey

UWPMIBVQZDSYNA-UHFFFAOYSA-N

Smiles

C12(CC3(C[C@@H](C1)C[C@@H](C2)C3)C(O)=O)c1ccc(C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 610mg/kg (610mg/kg) BEHAVIORAL: ANTICONVULSANT Russian Pharmacology and Toxicology Vol. 43, Pg. 73, 1980.