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Substance Name: Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 3-(4-(acetyloxy)phenyl)-
RN: 126164-69-0
InChIKey: OKQMIIAVSFZFNN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-O4

Molecular Weight

  • 314.379
 
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Names and Synonyms

Synonyms

  • 3-(4-(Acetyloxy)phenyl)tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid
  • 3-(4-Acetoxyphenyl)adamantanecarboxylic acid
  • BRN 4266816

Systematic Name

  • Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 3-(4-(acetyloxy)phenyl)-

Registry Numbers

CAS Registry Number

  • 126164-69-0

System Generated Number

  • 0126164690

Structure Descriptors

InChI

1S/C19H22O4/c1-12(20)23-16-4-2-15(3-5-16)18-7-13-6-14(8-18)10-19(9-13,11-18)17(21)22/h2-5,13-14H,6-11H2,1H3,(H,21,22)

InChIKey

OKQMIIAVSFZFNN-UHFFFAOYSA-N

Smiles

C1C2(C(=O)O)C[C@@H]3CC(c4ccc(cc4)OC(=O)C)(C2)C[C@@H]1C3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Russian Pharmacology and Toxicology Vol. 52, Pg. 229, 1989.
mouse LD50 oral 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 760, 1989.