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Substance Name: Phenethylamine, N-ethyl-N-(2-hydroxyethyl)-, 3,4,5-trimethoxybenzoate (ester)
RN: 67293-35-0
InChIKey: WMSPKGAVDAXCBO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H29-N-O5

Molecular Weight

  • 387.4731
 
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Names and Synonyms

Synonyms

  • 2-Hydroxy-2'-phenyltriethylamine 3,4,5-trimethoxybenzoate
  • BRN 2678056
  • N-Ethyl-N-(2-hydroxyethyl)phenethylamine 3,4,5-trimethoxybenzoate
  • Triethylamine, 2-hydroxy-2'-phenyl-, 3,4,5-trimethoxybenzoate (ester)

Systematic Name

  • Phenethylamine, N-ethyl-N-(2-hydroxyethyl)-, 3,4,5-trimethoxybenzoate (ester)

Registry Numbers

CAS Registry Number

  • 67293-35-0

System Generated Number

  • 0067293350

Structure Descriptors

InChI

1S/C22H29NO5/c1-5-23(12-11-17-9-7-6-8-10-17)13-14-28-22(24)18-15-19(25-2)21(27-4)20(16-18)26-3/h6-10,15-16H,5,11-14H2,1-4H3

InChIKey

WMSPKGAVDAXCBO-UHFFFAOYSA-N

Smiles

CCN(CCc1ccccc1)CCOC(=O)c2cc(c(c(c2)OC)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 340mg/kg (340mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 97, 1963.