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Substance Name: Phenethylamine, N-(4-hydroxybutyl)-N-methyl-, 3,4,5-trimethoxybenzoate (ester)
RN: 67293-53-2
InChIKey: QQLIVAHBMDGOGS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H31-N-O5

Molecular Weight

  • 401.4999
 
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Names and Synonyms

Synonyms

  • BRN 2675792
  • N-(4-Hydroxybutyl)-N-methylphenethylamine 3,4,5-trimethoxybenzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67293-53-2

System Generated Number

  • 0067293532

Structure Descriptors

InChI

1S/C23H31NO5/c1-24(14-12-18-10-6-5-7-11-18)13-8-9-15-29-23(25)19-16-20(26-2)22(28-4)21(17-19)27-3/h5-7,10-11,16-17H,8-9,12-15H2,1-4H3

InChIKey

QQLIVAHBMDGOGS-UHFFFAOYSA-N

Smiles

CN(CCCCOC(=O)c1cc(c(c(c1)OC)OC)OC)CCc2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 55mg/kg (55mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 97, 1963.