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Substance Name: 3-Adamantanecarboxylic acid, 1-(3,4-xylyl)-
RN: 56531-57-8
InChIKey: OSUAHUMJPBHFKV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H24-O2

Molecular Weight

  • 284.397
 
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Names and Synonyms

Synonyms

  • 1-(3,4-Xylyl)-3-adamantanecarboxylic acid
  • BRN 2389409

Systematic Name

  • 3-Adamantanecarboxylic acid, 1-(3,4-xylyl)-

Registry Numbers

CAS Registry Number

  • 56531-57-8

System Generated Number

  • 0056531578

Structure Descriptors

InChI

1S/C19H24O2/c1-12-3-4-16(5-13(12)2)18-7-14-6-15(8-18)10-19(9-14,11-18)17(20)21/h3-5,14-15H,6-11H2,1-2H3,(H,20,21)

InChIKey

OSUAHUMJPBHFKV-UHFFFAOYSA-N

Smiles

C12(CC3(C[C@@H](C1)C[C@@H](C2)C3)C(O)=O)c1cc(c(C)cc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 1500mg/kg (1500mg/kg) BEHAVIORAL: ANTICONVULSANT Russian Pharmacology and Toxicology Vol. 43, Pg. 73, 1980.