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Substance Name: Phenethylamine, N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)
RN: 67293-55-4
InChIKey: JTMVUXFFFIFMJM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N-O5

Molecular Weight

  • 387.4731
 
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Names and Synonyms

Synonyms

  • Benzoic acid, 3,4,5-trimethoxy-, 4-(N-phenethylamino)butyl ester
  • N-(4-Hydroxybutyl)phenethylamine 3,4,5-trimethoxybenzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67293-55-4

System Generated Number

  • 0067293554

Structure Descriptors

InChI

1S/C22H29NO5/c1-25-19-15-18(16-20(26-2)21(19)27-3)22(24)28-14-8-7-12-23-13-11-17-9-5-4-6-10-17/h4-6,9-10,15-16,23H,7-8,11-14H2,1-3H3

InChIKey

JTMVUXFFFIFMJM-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)OC)C(=O)OCCCCNCCc2ccccc2

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.