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Substance Name: Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, (+-), compd. with 3-pyridinemethanamine (1:1)
RN: 71548-90-8
InChIKey: IHILHAQLHUINAV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-Cl-O3.C6-H9-N2

Molecular Weight

  • 426.941
 
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Names and Synonyms

Synonyms

  • (+-)-2-(4-(4-Chlorobenzyl)phenoxy)-2-methylbutyric acid 3-pyridinylmethylamine
  • Sgd 171-75

Systematic Name

  • Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, (+-), compd. with 3-pyridinemethanamine (1:1)

Registry Numbers

CAS Registry Number

  • 71548-90-8

System Generated Number

  • 0071548908

Molecular Formulas

Molecular Formula

  • C18-H18-Cl-O3.C6-H9-N2

Molecular Formula Fragments

  • C18-H18-Cl-O3
  • C6-H9-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C18H19ClO3.C6H8N2/c1-3-18(2,17(20)21)22-16-10-6-14(7-11-16)12-13-4-8-15(19)9-5-13;7-4-6-2-1-3-8-5-6/h4-11H,3,12H2,1-2H3,(H,20,21);1-3,5H,4,7H2

InChIKey

IHILHAQLHUINAV-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)Cc1ccc(Cl)cc1)O[C@@](C([O-])=O)(CC)C.c1(cccnc1)C[NH3+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 711, 1979.