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Substance Name: Benzyl alcohol, alpha-(1-(N-(4-hydroxybutyl)-N-propylamino)ethyl)- 3,4,5-trimethoxybenzoate (ester)
RN: 72017-45-9
InChIKey: RIWWEJLQVFPIEB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H37-N-O6

Molecular Weight

  • 459.579
 
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Names and Synonyms

Synonyms

  • alpha-(1-(N-Propyl-N-(4-(3,4,5-trimethoxybenzoyloxy)butyl))ethyl)benzyl alcohol
  • BRN 2789246

Systematic Name

  • Benzyl alcohol, alpha-(1-(N-(4-hydroxybutyl)-N-propylamino)ethyl)- 3,4,5-trimethoxybenzoate (ester)

Registry Numbers

CAS Registry Number

  • 72017-45-9

System Generated Number

  • 0072017459

Structure Descriptors

InChI

1S/C26H37NO6/c1-6-14-27(15-10-11-16-28)19(2)24(20-12-8-7-9-13-20)33-26(29)21-17-22(30-3)25(32-5)23(18-21)31-4/h7-9,12-13,17-19,24,28H,6,10-11,14-16H2,1-5H3

InChIKey

RIWWEJLQVFPIEB-UHFFFAOYSA-N

Smiles

c1([C@@H]([C@@H]([N@@](CCCCO)CCC)C)OC(c2cc(c(OC)c(c2)OC)OC)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 97, 1963.