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Substance Name: N-Vanillyl octanamide
RN: 58493-47-3
UNII: CW938J9KNR
InChIKey: CMUQEPIYTHQKDV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H25-N-O3

Molecular Weight

  • 279.378
 
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Names and Synonyms

Name of Substance

  • N-Vanillyl octanamide

Synonyms

  • 3-13-00-02190 (Beilstein Handbook Reference)
  • BRN 2944990
  • N-((4-Hydroxy-3-methoxyphenyl)methyl)octanamide
  • N-Vanillyl octanamide
  • Octanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-
  • UNII-CW938J9KNR

Systematic Name

  • Octanamide, N-vanillyl-

Registry Numbers

CAS Registry Number

  • 58493-47-3

FDA UNII

  • CW938J9KNR

System Generated Number

  • 0058493473

Structure Descriptors

InChI

1S/C16H25NO3/c1-3-4-5-6-7-8-11-17-16(19)13-9-10-14(18)15(12-13)20-2/h9-10,12,18H,3-8,11H2,1-2H3,(H,17,19)

InChIKey

CMUQEPIYTHQKDV-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09362,
mouse LDLo intraperitoneal 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 36, Pg. 2595, 1993.