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Substance Name: 5-Isobutylnaphthalene-1-acetic acid
RN: 72221-66-0
InChIKey: MJPDFVFWDUWGPQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-O2

Molecular Weight

  • 242.316
 
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Names and Synonyms

Name of Substance

  • 5-Isobutylnaphthalene-1-acetic acid

Synonyms

  • 5-(2-Methylpropyl)-1-naphthaleneacetic acid
  • 5-Isobutyl-1-naphthaleneacetic acid
  • Acide isobutyl-5 naphthyl-1 acetique
  • Acide isobutyl-5 naphthyl-1 acetique [French]
  • BRN 2274600

Systematic Name

  • 1-Naphthaleneacetic acid, 5-(2-methylpropyl)-

Registry Numbers

CAS Registry Number

  • 72221-66-0

System Generated Number

  • 0072221660

Structure Descriptors

InChI

1S/C16H18O2/c1-11(2)9-12-5-3-8-15-13(10-16(17)18)6-4-7-14(12)15/h3-8,11H,9-10H2,1-2H3,(H,17,18)

InChIKey

MJPDFVFWDUWGPQ-UHFFFAOYSA-N

Smiles

c1(cccc2c(cccc12)CC(C)C)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 600mg/kg (600mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 19, Pg. 5, 1984.