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Substance Name: Isopropyl ferulate
RN: 59831-94-6
InChIKey: KBTWMQRNUHIETA-FNORWQNLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-O4

Molecular Weight

  • 236.265
 
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Names and Synonyms

Results Name

  • Isopropyl ferulate

Synonyms

  • 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 1-methylethyl ester
  • 4-Hydroxy-3-methoxycinnamic acid isopropyl ester
  • Isopropyl ferulate

Systematic Name

  • Cinnamic acid, 4-hydroxy-3-methoxy-, isopropyl ester

Registry Numbers

CAS Registry Number

  • 59831-94-6

System Generated Number

  • 0059831946

Structure Descriptors

InChI

1S/C13H16O4/c1-9(2)17-13(15)7-5-10-4-6-11(14)12(8-10)16-3/h4-9,14H,1-3H3/b7-5+

InChIKey

KBTWMQRNUHIETA-FNORWQNLSA-N

Smiles

c1(cc(c(O)cc1)OC)\C=C\C(OC(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1059mg/kg (1059mg/kg)   Indian Journal of Experimental Biology. Vol. 25, Pg. 187, 1987.