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Substance Name: Benzoic acid, 2-hydroxy-5-methoxy-, 2-phenylethyl ester
RN: 25485-93-2
InChIKey: QNVSTEGIHDXQCU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-O3

Molecular Weight

  • 272.2984
 
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Names and Synonyms

Synonyms

  • 2-Phenethyl 2-hydroxy-5-methoxybenzoate
  • Hydroxy-2 methoxy-5 benzoate de phenyl-ethyle
  • Hydroxy-2 methoxy-5 benzoate de phenyl-ethyle [French]
  • m-Anisic acid, 6-hydroxy-, phenethyl ester
  • S 31

Systematic Name

  • Benzoic acid, 2-hydroxy-5-methoxy-, 2-phenylethyl ester

Registry Numbers

CAS Registry Number

  • 25485-93-2

System Generated Number

  • 0025485932

Structure Descriptors

InChI

1S/C16H16O4/c1-19-13-7-8-15(17)14(11-13)16(18)20-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3

InChIKey

QNVSTEGIHDXQCU-UHFFFAOYSA-N

Smiles

COc1ccc(c(c1)C(=O)OCCc2ccccc2)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 parenteral > 4gm/kg (4000mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 453, 1969.