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Substance Name: Acetic acid, 3-isopropyl-5-methoxyphenyl-
RN: 51028-84-3
InChIKey: QNAQRLMGXWACIL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-O3

Molecular Weight

  • 208.255
 
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Names and Synonyms

Synonyms

  • 3-Isopropyl-5-methoxyphenylacetic acid
  • BRN 2110406

Systematic Name

  • Acetic acid, 3-isopropyl-5-methoxyphenyl-

Registry Numbers

CAS Registry Number

  • 51028-84-3

System Generated Number

  • 0051028843

Structure Descriptors

InChI

1S/C12H16O3/c1-8(2)10-4-9(6-12(13)14)5-11(7-10)15-3/h4-5,7-8H,6H2,1-3H3,(H,13,14)

InChIKey

QNAQRLMGXWACIL-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1601mg/kg (1601mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 709, 1977.