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Substance Name: Benzoic acid, 2-hydroxy-5-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, methyl ester
RN: 126145-52-6
InChIKey: JFRMQGWZTDYHRK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-O3

Molecular Weight

  • 286.369
 
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Names and Synonyms

Synonyms

  • BRN 4263319
  • Methyl 2-hydroxy-5-tricyclo(3.3.1.1(sup 3,7))dec-1-ylbenzoate
  • Methyl 5-(adamantyl-1)salicylate

Systematic Name

  • Benzoic acid, 2-hydroxy-5-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, methyl ester

Registry Numbers

CAS Registry Number

  • 126145-52-6

System Generated Number

  • 0126145526

Structure Descriptors

InChI

1S/C18H22O3/c1-21-17(20)15-7-14(2-3-16(15)19)18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13,19H,4-6,8-10H2,1H3

InChIKey

JFRMQGWZTDYHRK-UHFFFAOYSA-N

Smiles

C1C2CC3CC(CC1(c1ccc(c(c1)C(OC)=O)O)C3)C2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 760, 1989.