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Substance Name: Phenethylamine, N-ethyl-N-(4-hydroxyheptyl)-, 3,4,5-trimethoxybenzoate (ester)
RN: 67293-36-1
InChIKey: MDAPNGGODHVZQF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H39-N-O5

Molecular Weight

  • 457.6071
 
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Names and Synonyms

Synonyms

  • BRN 2682069
  • N-Ethyl-N-(4-hydroxyheptyl)phenethylamine 3,4,5-trimethoxybenzoate (ester)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67293-36-1

System Generated Number

  • 0067293361

Structure Descriptors

InChI

1S/C27H39NO5/c1-6-12-23(15-11-17-28(7-2)18-16-21-13-9-8-10-14-21)33-27(29)22-19-24(30-3)26(32-5)25(20-22)31-4/h8-10,13-14,19-20,23H,6-7,11-12,15-18H2,1-5H3

InChIKey

MDAPNGGODHVZQF-UHFFFAOYSA-N

Smiles

CCCC(CCCN(CC)CCc1ccccc1)OC(=O)c2cc(c(c(c2)OC)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 170mg/kg (170mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 97, 1963.