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Substance Name: Beclobrinic acid
RN: 71548-88-4
InChIKey: PBRVZNUUAUSXBJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-Cl-O3

Molecular Weight

  • 318.798
 
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Names and Synonyms

Name of Substance

  • Beclobrinic acid

Synonyms

  • (+-)-2-(4-(4-Chlorobenzyl)phenoxy)-2-methylbutyric acid
  • BRN 2995605
  • Butanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methyl-, (+-)-
  • Sgd 6-75

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 71548-88-4

System Generated Number

  • 0071548884

Structure Descriptors

InChI

1S/C18H19ClO3/c1-3-18(2,17(20)21)22-16-10-6-14(7-11-16)12-13-4-8-15(19)9-5-13/h4-11H,3,12H2,1-2H3,(H,20,21)

InChIKey

PBRVZNUUAUSXBJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1830mg/kg (1830mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 711, 1979.