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Substance Name: Benzoic acid, 4-(2-(N-ethyl-N-(4-hydroxybutyl)amino)ethyl)-, ethyl ester, 3,4,5-trimethoxybenzoate (ester)
RN: 67114-23-2
InChIKey: DNABOXHEQOCGIJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H37-N-O7

Molecular Weight

  • 487.589
 
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Names and Synonyms

  • Benzoic acid, 4-(2-(N-ethyl-N-(4-hydroxybutyl)amino)ethyl)-, ethyl ester, 3,4,5-trimethoxybenzoate (ester)

Registry Numbers

CAS Registry Number

  • 67114-23-2

System Generated Number

  • 0067114232

Structure Descriptors

InChI

1S/C27H37NO7/c1-6-28(16-14-20-10-12-21(13-11-20)26(29)34-7-2)15-8-9-17-35-27(30)22-18-23(31-3)25(33-5)24(19-22)32-4/h10-13,18-19H,6-9,14-17H2,1-5H3

InChIKey

DNABOXHEQOCGIJ-UHFFFAOYSA-N

Smiles

c1(c(cc(C(OCCCC[N@@](CCc2ccc(C(OCC)=O)cc2)CC)=O)cc1OC)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 70mg/kg (70mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 97, 1963.