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Substance Name: Butanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methyl-, 2-phenoxyethyl ester, (+-)-
RN: 71654-77-8
InChIKey: GQFSZPWHJGOWPX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H27-Cl-O4

Molecular Weight

  • 438.9483
 
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Names and Synonyms

Synonyms

  • BRN 3017193
  • Sgd 74-75

Systematic Name

  • Butanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methyl-, 2-phenoxyethyl ester, (+-)-

Registry Numbers

CAS Registry Number

  • 71654-77-8

System Generated Number

  • 0071654778

Structure Descriptors

InChI

1S/C26H27ClO4/c1-3-26(2,25(28)30-18-17-29-23-7-5-4-6-8-23)31-24-15-11-21(12-16-24)19-20-9-13-22(27)14-10-20/h4-16H,3,17-19H2,1-2H3

InChIKey

GQFSZPWHJGOWPX-UHFFFAOYSA-N

Smiles

CCC(C)(C(=O)OCCOc1ccccc1)Oc2ccc(cc2)Cc3ccc(cc3)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.