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Substance Name: Benzylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)
RN: 66903-17-1
InChIKey: YPACQCLWOFAKFE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H31-N-O5

Molecular Weight

  • 401.5
 
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Names and Synonyms

Synonyms

  • Benzoic acid, 3,4,5-trimethoxy-, 4-(N-benzyl-N-ethylamino)butyl ester
  • N-Ethyl-N-(4-hydroxybutyl)benzylamine 3,4,5-trimethoxybenzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 66903-17-1

System Generated Number

  • 0066903171

Structure Descriptors

InChI

1S/C23H31NO5/c1-5-24(17-18-11-7-6-8-12-18)13-9-10-14-29-23(25)19-15-20(26-2)22(28-4)21(16-19)27-3/h6-8,11-12,15-16H,5,9-10,13-14,17H2,1-4H3

InChIKey

YPACQCLWOFAKFE-UHFFFAOYSA-N

Smiles

c1(c(cc(C(OCCCC[N@@](Cc2ccccc2)CC)=O)cc1OC)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 190mg/kg (190mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 97, 1963.