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Substance Name: Phenethylamine, N-ethyl-N-(5-hydroxypentyl)-4-methoxy-alpha-methyl-, 3,4,5-trimethoxybenzoate (ester)
RN: 67293-44-1
InChIKey: PJHUFDHJVLJTHR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H39-N-O6

Molecular Weight

  • 473.6061
 
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Names and Synonyms

Synonyms

  • BRN 2792967
  • N-Ethyl-N-(5-hydroxypentyl)-4-methoxy-alpha-methylphenethylamine 3,4,5-trimethoxybenzoate

Systematic Name

  • Phenethylamine, N-ethyl-N-(5-hydroxypentyl)-4-methoxy-alpha-methyl-, 3,4,5-trimethoxybenzoate (ester)

Registry Numbers

CAS Registry Number

  • 67293-44-1

System Generated Number

  • 0067293441

Structure Descriptors

InChI

1S/C27H39NO6/c1-7-28(20(2)17-21-11-13-23(30-3)14-12-21)15-9-8-10-16-34-27(29)22-18-24(31-4)26(33-6)25(19-22)32-5/h11-14,18-20H,7-10,15-17H2,1-6H3

InChIKey

PJHUFDHJVLJTHR-UHFFFAOYSA-N

Smiles

CCN(CCCCCOC(=O)c1cc(c(c(c1)OC)OC)OC)C(C)Cc2ccc(cc2)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 97, 1963.