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Substance Name: 3-Phenylpropylsalicylate
RN: 24781-13-3
UNII: 3BE83JUF0V
InChIKey: GMHNYYKDPGWAJR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-O3

Molecular Weight

  • 256.299
 
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Names and Synonyms

Name of Substance

  • 3-Phenylpropylsalicylate

Synonyms

  • 3-Phenylpropyl salicylate
  • BRN 2120148
  • EINECS 246-458-7
  • Propanol, 3-phenyl-, salicylate
  • S 22
  • Salicylic acid, 3-phenylpropyl ester
  • UNII-3BE83JUF0V

Systematic Names

  • 3-Phenylpropyl salicylate
  • Benzoic acid, 2-hydroxy-, 3-phenylpropyl ester
  • Salicylic acid, 3-phenylpropyl ester

Registry Numbers

CAS Registry Number

  • 24781-13-3

FDA UNII

  • 3BE83JUF0V

System Generated Number

  • 0024781133

Structure Descriptors

InChI

1S/C16H16O3/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,17H,6,9,12H2

InChIKey

GMHNYYKDPGWAJR-UHFFFAOYSA-N

Smiles

O=C(OCCCc1ccccc1)c1c(O)cccc1

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.