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Substance Name: Phenethylamine, N-ethyl-N-(3-hydroxyhexyl)-, 3,4,5-trimethoxybenzoate (ester)
RN: 67293-39-4
InChIKey: YGMKRKXGMCGCML-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H37-N-O5

Molecular Weight

  • 443.5803
 
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Names and Synonyms

Synonyms

  • BRN 2681264
  • N-Ethyl-N-(3-hydroxyhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67293-39-4

System Generated Number

  • 0067293394

Structure Descriptors

InChI

1S/C26H37NO5/c1-6-11-22(15-17-27(7-2)16-14-20-12-9-8-10-13-20)32-26(28)21-18-23(29-3)25(31-5)24(19-21)30-4/h8-10,12-13,18-19,22H,6-7,11,14-17H2,1-5H3

InChIKey

YGMKRKXGMCGCML-UHFFFAOYSA-N

Smiles

CCCC(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 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 97, 1963.