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Substance Name: 3-Adamantanecarboxylic acid, 1-bromo-
RN: 21816-08-0
InChIKey: DJUDQBVINJIMFO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H15-Br-O2

Molecular Weight

  • 259.142
 
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Names and Synonyms

Synonyms

  • 1-Bromo-3-adamantanecarboxylic acid
  • BRN 2103177

Systematic Names

  • 3-Adamantanecarboxylic acid, 1-bromo-
  • Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 3-bromo- (9CI)

Registry Numbers

CAS Registry Number

  • 21816-08-0

System Generated Number

  • 0021816080

Structure Descriptors

InChI

1S/C11H15BrO2/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H,13,14)

InChIKey

DJUDQBVINJIMFO-UHFFFAOYSA-N

Smiles

C1C2(C[C@@H]3CC1(C[C@@H](C2)C3)Br)C(O)=O

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.