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Substance Name: Phenethylamine, N-ethyl-N-(4-hydroxypentyl)-, 3,4,5-trimethoxybenzoate (ester)
RN: 67293-46-3
InChIKey: XDSJQTAZRVHBOS-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

  • BRN 2677429
  • N-Ethyl-N-(4-hydroxypentyl)phenethylamine 3,4,5-trimethoxybenzoate (ester)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67293-46-3

System Generated Number

  • 0067293463

Structure Descriptors

InChI

1S/C25H35NO5/c1-6-26(16-14-20-12-8-7-9-13-20)15-10-11-19(2)31-25(27)21-17-22(28-3)24(30-5)23(18-21)29-4/h7-9,12-13,17-19H,6,10-11,14-16H2,1-5H3

InChIKey

XDSJQTAZRVHBOS-UHFFFAOYSA-N

Smiles

CCN(CCCC(C)OC(=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.