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Substance Name: Pentanoic acid, 2-(4-(((4-chlorophenyl)methyl)thio)phenoxy)-2-methyl-, ethyl ester, (+-)-
RN: 71547-93-8
InChIKey: KIQRLJBLHINPQJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-Cl-O3-S

Molecular Weight

  • 392.9445
 
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Names and Synonyms

Synonyms

  • BRN 3006953
  • Ethyl (+-)-2-(4-(((4-chlorophenyl)methyl)thio)phenoxy)-2-methylpentanoate
  • Sgd 133-75

Systematic Name

  • Pentanoic acid, 2-(4-(((4-chlorophenyl)methyl)thio)phenoxy)-2-methyl-, ethyl ester, (+-)-

Registry Numbers

CAS Registry Number

  • 71547-93-8

System Generated Number

  • 0071547938

Structure Descriptors

InChI

1S/C21H25ClO3S/c1-4-14-21(3,20(23)24-5-2)25-18-10-12-19(13-11-18)26-15-16-6-8-17(22)9-7-16/h6-13H,4-5,14-15H2,1-3H3

InChIKey

KIQRLJBLHINPQJ-UHFFFAOYSA-N

Smiles

CCCC(C)(C(=O)OCC)Oc1ccc(cc1)SCc2ccc(cc2)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.