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Substance Name: Phenethylamine, N-(4-hydroxybutyl)-4-methoxy-alpha-methyl-N-propyl-, 3,4,5-trimethoxybenzoate (ester)
RN: 67338-56-1
InChIKey: JMAPTGAZTKXNTM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H39-N-O6

Molecular Weight

  • 473.6061
 
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Names and Synonyms

Synonyms

  • BRN 2793785
  • N-(4-Hydroxybutyl)-4-methoxy-alpha-methyl-N-propylphenethylamine 3,4,5-trimethoxybenzoate

Systematic Name

  • Phenethylamine, N-(4-hydroxybutyl)-4-methoxy-alpha-methyl-N-propyl-, 3,4,5-trimethoxybenzoate (ester)

Registry Numbers

CAS Registry Number

  • 67338-56-1

System Generated Number

  • 0067338561

Structure Descriptors

InChI

1S/C27H39NO6/c1-7-14-28(20(2)17-21-10-12-23(30-3)13-11-21)15-8-9-16-34-27(29)22-18-24(31-4)26(33-6)25(19-22)32-5/h10-13,18-20H,7-9,14-17H2,1-6H3

InChIKey

JMAPTGAZTKXNTM-UHFFFAOYSA-N

Smiles

CCCN(CCCCOC(=O)c1cc(c(c(c1)OC)OC)OC)C(C)Cc2ccc(cc2)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 215mg/kg (215mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 97, 1963.