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Substance Name: Dodecanoic acid, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester
RN: 53083-27-5
InChIKey: XXFRLVPRIUUWHA-UHFFFAOYSA-N

Molecular Formula

  • C30-H38-O3

Molecular Weight

  • 446.627
 
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Names and Synonyms

Synonyms

  • 1-Oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl dodecanoate
  • BRN 2310958

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 53083-27-5

System Generated Number

  • 0053083275

Structure Descriptors

InChI

1S/C30H38O3/c1-5-6-7-8-9-10-11-12-13-18-26(31)33-30-25-17-15-14-16-24(25)29(32)28(30)27-22(3)19-21(2)20-23(27)4/h14-17,19-20H,5-13,18H2,1-4H3

InChIKey

XXFRLVPRIUUWHA-UHFFFAOYSA-N

Smiles

C1(=C(c2ccccc2C1=O)OC(CCCCCCCCCCC)=O)c1c(cc(C)cc1C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 4gm/kg (4000mg/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 9500mg/kg (9500mg/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.