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Substance Name: 1-Indancarboxylic acid, 5-cyclohexyl-, methyl ester, (+-)-
RN: 28998-50-7
InChIKey: CPBGSLIVFJMDAK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H22-O2

Molecular Weight

  • 258.359
 
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Names and Synonyms

Synonyms

  • BRN 1885302
  • Methyl (+-)-5-cyclohexylindan-1-carboxylate

Systematic Name

  • 1-Indancarboxylic acid, 5-cyclohexyl-, methyl ester, (+-)-

Registry Numbers

CAS Registry Number

  • 28998-50-7

System Generated Number

  • 0028998507

Structure Descriptors

InChI

1S/C17H22O2/c1-19-17(18)16-10-8-14-11-13(7-9-15(14)16)12-5-3-2-4-6-12/h7,9,11-12,16H,2-6,8,10H2,1H3

InChIKey

CPBGSLIVFJMDAK-UHFFFAOYSA-N

Smiles

c12[C@@H](C(=O)OC)CCc1cc(cc2)C1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 410mg/kg (410mg/kg) GASTROINTESTINAL: OTHER CHANGES Journal of Medicinal Chemistry. Vol. 15, Pg. 1297, 1972.