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Substance Name: Phenethylamine, N-ethyl-N-(3-hydroxypentyl)-, 3,4,5-trimethoxybenzoate (ester)
RN: 67293-45-2
InChIKey: YXEARDOBNJHLDF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H35-N-O5

Molecular Weight

  • 429.5535
 
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Names and Synonyms

Synonym

  • N-Ethyl-N-(3-hydroxypentyl)phenethylamine 3,4,5-trimethoxybenzoate (ester)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67293-45-2

System Generated Number

  • 0067293452

Structure Descriptors

InChI

1S/C25H35NO5/c1-6-21(14-16-26(7-2)15-13-19-11-9-8-10-12-19)31-25(27)20-17-22(28-3)24(30-5)23(18-20)29-4/h8-12,17-18,21H,6-7,13-16H2,1-5H3

InChIKey

YXEARDOBNJHLDF-UHFFFAOYSA-N

Smiles

CCC(CCN(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 560mg/kg (560mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 97, 1963.