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Substance Name: Butanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methyl-, (2,2-dimethyl-1-oxopropoxy)methyl ester (+-)-
RN: 71548-86-2
InChIKey: PYMOLQAHVLEXQQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H29-Cl-O5

Molecular Weight

  • 432.9411
 
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Names and Synonyms

Synonyms

  • BRN 2023442
  • Sgd 282-74

Systematic Name

  • Butanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methyl-, (2,2-dimethyl-1-oxopropoxy)methyl ester (+-)-

Registry Numbers

CAS Registry Number

  • 71548-86-2

System Generated Number

  • 0071548862

Structure Descriptors

InChI

1S/C24H29ClO5/c1-6-24(5,22(27)29-16-28-21(26)23(2,3)4)30-20-13-9-18(10-14-20)15-17-7-11-19(25)12-8-17/h7-14H,6,15-16H2,1-5H3

InChIKey

PYMOLQAHVLEXQQ-UHFFFAOYSA-N

Smiles

CCC(C)(C(=O)OCOC(=O)C(C)(C)C)Oc1ccc(cc1)Cc2ccc(cc2)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3gm/kg (3000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 711, 1979.