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Substance Name: Acetic acid, (4-chloro-3-pentadecylphenoxy)-
RN: 117554-41-3
InChIKey: YKVZOTMLZNFFND-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H37-Cl-O3

Molecular Weight

  • 396.9953
 
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Names and Synonyms

Synonyms

  • (4-Chloro-3-pentadecylphenoxy)acetic acid
  • BRN 5113392

Systematic Name

  • Acetic acid, (4-chloro-3-pentadecylphenoxy)-

Registry Numbers

CAS Registry Number

  • 117554-41-3

System Generated Number

  • 0117554413

Structure Descriptors

InChI

1S/C23H37ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-18-21(16-17-22(20)24)27-19-23(25)26/h16-18H,2-15,19H2,1H3,(H,25,26)

InChIKey

YKVZOTMLZNFFND-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCc1cc(ccc1Cl)OCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 26, Pg. 1204, 1987.