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Substance Name: Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, propyl ester, (+-)-
RN: 71548-92-0
InChIKey: UDFXHGHZSZRKLJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-Cl-O3

Molecular Weight

  • 360.879
 
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Names and Synonyms

Synonyms

  • (+-)-2-(4-(4-Chlorobenzyl)phenoxy)-2-methylbutyric acid propyl ester
  • (+-)-Propyl 2-(4-(4-chlorobenzyl)phenoxy)-2-methylbutyrate
  • BRN 3005392
  • Sgd 90-75

Systematic Name

  • Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, propyl ester, (+-)-

Registry Numbers

CAS Registry Number

  • 71548-92-0

System Generated Number

  • 0071548920

Structure Descriptors

InChI

1S/C21H25ClO3/c1-4-14-24-20(23)21(3,5-2)25-19-12-8-17(9-13-19)15-16-6-10-18(22)11-7-16/h6-13H,4-5,14-15H2,1-3H3

InChIKey

UDFXHGHZSZRKLJ-UHFFFAOYSA-N

Smiles

c1(O[C@@](C(OCCC)=O)(CC)C)ccc(Cc2ccc(Cl)cc2)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 7900mg/kg (7900mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 711, 1979.