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Substance Name: Phenethylamine, N-ethyl-N-(4-hydroxy-5-methylhexyl)-, 3,4,5-trimethoxybenzoate (ester)
RN: 67293-41-8
InChIKey: IHNFGRQSTRNQDI-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 2679221
  • N-Ethyl-N-(4-hydroxy-5-methylhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67293-41-8

System Generated Number

  • 0067293418

Structure Descriptors

InChI

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

InChIKey

IHNFGRQSTRNQDI-UHFFFAOYSA-N

Smiles

CCN(CCCC(C(C)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 180mg/kg (180mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 97, 1963.