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Substance Name: Pentanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methyl-, 3-pyridinylmethyl ester, (+-)-
RN: 71548-68-0
InChIKey: IOBUQRFHGSZURK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H26-Cl-N-O3

Molecular Weight

  • 423.9374
 
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Names and Synonyms

Synonym

  • (+-)-2-Methyl-2-(4-(4'-chlorobenzyl)phenoxy)valeric acid 3-pyridylmethyl ester

Systematic Name

  • Pentanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methyl-, 3-pyridinylmethyl ester, (+-)-

Registry Numbers

CAS Registry Number

  • 71548-68-0

System Generated Number

  • 0071548680

Structure Descriptors

InChI

1S/C25H26ClNO3/c1-3-14-25(2,24(28)29-18-21-5-4-15-27-17-21)30-23-12-8-20(9-13-23)16-19-6-10-22(26)11-7-19/h4-13,15,17H,3,14,16,18H2,1-2H3

InChIKey

IOBUQRFHGSZURK-UHFFFAOYSA-N

Smiles

CCCC(C)(C(=O)OCc1cccnc1)Oc2ccc(cc2)Cc3ccc(cc3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 5600mg/kg (5600mg/kg)   United States Patent Document. Vol. #4115393,
rat LD50 oral 10gm/kg (10000mg/kg)   United States Patent Document. Vol. #4115393,