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Substance Name: Acetic acid, (5-butoxy-m-tolyl)-
RN: 51028-85-4
InChIKey: PGXJZASUGQVGNJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-O3

Molecular Weight

  • 222.282
 
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Names and Synonyms

Synonyms

  • 5-Butoxy-m-tolylacetic acid
  • BRN 2101694

Systematic Name

  • Acetic acid, (5-butoxy-m-tolyl)-

Registry Numbers

CAS Registry Number

  • 51028-85-4

System Generated Number

  • 0051028854

Structure Descriptors

InChI

1S/C13H18O3/c1-3-4-5-16-12-7-10(2)6-11(8-12)9-13(14)15/h6-8H,3-5,9H2,1-2H3,(H,14,15)

InChIKey

PGXJZASUGQVGNJ-UHFFFAOYSA-N

Smiles

c1(cc(cc(c1)C)OCCCC)CC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 673mg/kg (673mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 709, 1977.