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Substance Name: Phenethylamine, N-(4-hydroxybutyl)-N-propyl-, 3,4,5-trimethoxybenzoate (ester)
RN: 67293-54-3
InChIKey: CAJWCUIZKCBDDS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H35-N-O5

Molecular Weight

  • 429.5535
 
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Names and Synonyms

Synonyms

  • Benzoic acid, 3,4,5-trimethoxy-, 4-(N-phenethyl-N-propylamino)butyl ester
  • BRN 2678814
  • N-(4-Hydroxybutyl)-N-propylphenethylamine 3,4,5-trimethoxybenzoate (ester)

Systematic Name

  • Phenethylamine, N-(4-hydroxybutyl)-N-propyl-, 3,4,5-trimethoxybenzoate (ester)

Registry Numbers

CAS Registry Number

  • 67293-54-3

System Generated Number

  • 0067293543

Structure Descriptors

InChI

1S/C25H35NO5/c1-5-14-26(16-13-20-11-7-6-8-12-20)15-9-10-17-31-25(27)21-18-22(28-2)24(30-4)23(19-21)29-3/h6-8,11-12,18-19H,5,9-10,13-17H2,1-4H3

InChIKey

CAJWCUIZKCBDDS-UHFFFAOYSA-N

Smiles

CCCN(CCCCOC(=O)c1cc(c(c(c1)OC)OC)OC)CCc2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 120mg/kg (120mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 97, 1963.