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Substance Name: Adamantanecarboxylic acid
RN: 828-51-3
InChIKey: JIMXXGFJRDUSRO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-O2

Molecular Weight

  • 180.245
 
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Names and Synonyms

Name of Substance

  • Adamantanecarboxylic acid

Synonyms

  • 1-Carboxyadamantane
  • Adamantoic acid
  • AI3-52431
  • EINECS 212-584-6
  • NSC 94182

Systematic Names

  • 1-Adamantanecarboxylic acid (8CI)
  • 3-Adamantanecarboxylic acid
  • Tricyclo(3.3.1.1'3,7)decane-1-carboxylic acid

Registry Numbers

CAS Registry Number

  • 828-51-3

System Generated Number

  • 0000828513

Structure Descriptors

InChI

1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)

InChIKey

JIMXXGFJRDUSRO-UHFFFAOYSA-N

Smiles

C12(C(O)=O)CC3CC(C1)CC(C2)C3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 600mg/kg (600mg/kg)   Pharmaceutical Chemistry Journal Vol. 8, Pg. 396, 1974.
mouse LD50 unreported 600mg/kg (600mg/kg) BEHAVIORAL: ANTICONVULSANT Russian Pharmacology and Toxicology Vol. 43, Pg. 73, 1980.