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Substance Name: Octanoic acid, 2-(4-(4-((1-carboxyheptyl)oxy)-3-methylphenoxy)phenoxy)-
RN: 70886-50-9
InChIKey: XELNWKHCERZVPT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H40-O7

Molecular Weight

  • 500.628
 
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Names and Synonyms

Synonyms

  • 2-(4-(4-((1-Carboxyheptyl)oxy)-3-methylphenoxy)phenoxy)octanoic acid
  • Acide ((carboxy-1 heptyloxy)-4 phenoxy)-4' methyl-2' phenoxy-2 octanoique
  • Acide ((carboxy-1 heptyloxy)-4 phenoxy)-4' methyl-2' phenoxy-2 octanoique [French]

Systematic Name

  • Octanoic acid, 2-(4-(4-((1-carboxyheptyl)oxy)-3-methylphenoxy)phenoxy)-

Registry Numbers

CAS Registry Number

  • 70886-50-9

System Generated Number

  • 0070886509

Structure Descriptors

InChI

1S/C29H40O7/c1-4-6-8-10-12-26(28(30)31)35-23-16-14-22(15-17-23)34-24-18-19-25(21(3)20-24)36-27(29(32)33)13-11-9-7-5-2/h14-20,26-27H,4-13H2,1-3H3,(H,30,31)(H,32,33)

InChIKey

XELNWKHCERZVPT-UHFFFAOYSA-N

Smiles

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

Toxicity

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