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Substance Name: Propanoic acid, 2,2-dimethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester
RN: 40580-62-9
InChIKey: SJUPIIFHXYAINX-UHFFFAOYSA-N

Molecular Formula

  • C23-H24-O3

Molecular Weight

  • 348.4396
 
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Names and Synonyms

Synonyms

  • 2,2-Dimethylpropanoic acid 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester
  • AI3-27991
  • BRN 2162479
  • UC 41305

Systematic Name

  • Propanoic acid, 2,2-dimethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester

Registry Numbers

CAS Registry Number

  • 40580-62-9

System Generated Number

  • 0040580629

Structure Descriptors

InChI

1S/C23H24O3/c1-13-11-14(2)18(15(3)12-13)19-20(24)16-9-7-8-10-17(16)21(19)26-22(25)23(4,5)6/h7-12H,1-6H3

InChIKey

SJUPIIFHXYAINX-UHFFFAOYSA-N

Smiles

Cc1cc(c(c(c1)C)C2=C(c3ccccc3C2=O)OC(=O)C(C)(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 3200mg/kg (3200mg/kg)   "Medicinal Chemistry, Proceedings of the International Symposium on Medicinal Chemistry, Main Lectures, 4th, Noordwijkerhout, Netherlands, 1974," Maas, J., ed., New York, Elsevier Science Pub. Co., 1974Vol. 4, Pg. 143, 1974.
rat LD50 oral 8gm/kg (8000mg/kg)   "Medicinal Chemistry, Proceedings of the International Symposium on Medicinal Chemistry, Main Lectures, 4th, Noordwijkerhout, Netherlands, 1974," Maas, J., ed., New York, Elsevier Science Pub. Co., 1974Vol. 4, Pg. 143, 1974.