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Substance Name: Octanoic acid, 2-(2-chloro-4-(4-((1-(ethoxycarbonyl)heptyl)oxy)phenoxy)phenoxy)-, ethyl ester
RN: 70886-51-0
InChIKey: PBDWYARFKKVZJK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H45-Cl-O7

Molecular Weight

  • 577.1535
 
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Names and Synonyms

Synonyms

  • ((Ethoxycarbonyl-1 heptyloxy)-4 phenoxy)-4' chloro-2' phenoxy-2 octanoate d'ethyle
  • ((Ethoxycarbonyl-1 heptyloxy)-4 phenoxy)-4' chloro-2' phenoxy-2 octanoate d'ethyle [French]
  • Ethyl 2-(2-chloro-4-(4-((1-(ethoxycarbonyl)heptyl)oxy)phenoxy)phenoxy)octanoate

Systematic Name

  • Octanoic acid, 2-(2-chloro-4-(4-((1-(ethoxycarbonyl)heptyl)oxy)phenoxy)phenoxy)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 70886-51-0

System Generated Number

  • 0070886510

Structure Descriptors

InChI

1S/C32H45ClO7/c1-5-9-11-13-15-29(31(34)36-7-3)39-25-19-17-24(18-20-25)38-26-21-22-28(27(33)23-26)40-30(32(35)37-8-4)16-14-12-10-6-2/h17-23,29-30H,5-16H2,1-4H3

InChIKey

PBDWYARFKKVZJK-UHFFFAOYSA-N

Smiles

CCCCCCC(C(=O)OCC)Oc1ccc(cc1)Oc2ccc(c(c2)Cl)OC(CCCCCC)C(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   French Demande Patent Document. Vol. #2381017,