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Substance Name: Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, 2-acetamidoethyl ester, (+-)-
RN: 71548-70-4
InChIKey: WBJIUQKCKPJLTD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-Cl-N-O4

Molecular Weight

  • 403.903
 
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Names and Synonyms

Synonyms

  • (+-)-2-(4-(4-Chlorobenzyl)phenoxy)-2-methylbutyric acid 2-acetamidoethyl ester
  • (+-)-2-Acetamidoethyl 2-(4-(4-chlorobenzyl)phenoxy)-2-methylbutyrate
  • BRN 3014903
  • Sgd 162-75

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 71548-70-4

System Generated Number

  • 0071548704

Structure Descriptors

InChI

1S/C22H26ClNO4/c1-4-22(3,21(26)27-14-13-24-16(2)25)28-20-11-7-18(8-12-20)15-17-5-9-19(23)10-6-17/h5-12H,4,13-15H2,1-3H3,(H,24,25)

InChIKey

WBJIUQKCKPJLTD-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2500mg/kg (2500mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 711, 1979.