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Substance Name: Benzyl alcohol, 4-hydroxy-alpha-(1-(N-(4-hydroxybutyl)amino)ethyl)-, 3,4,5-trimethoxybenzoate (ester)
RN: 72050-79-4
InChIKey: ADMLIHRZBCNHNR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H31-N-O7

Molecular Weight

  • 433.498
 
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Names and Synonyms

Synonyms

  • 4-Hydroxy-alpha-(1-(N-(4-hydroxybutyl)amino)ethyl)benzyl alcohol 3,4,5-trimethoxybenzoate
  • Benzoic acid, 3,4,5-trimethoxy-, 4-(beta,4-dihydroxy-alpha-methylphenethylamino)butyl ester
  • BRN 2792909

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 72050-79-4

System Generated Number

  • 0072050794

Structure Descriptors

InChI

1S/C23H31NO7/c1-15(24-11-5-6-12-25)21(16-7-9-18(26)10-8-16)31-23(27)17-13-19(28-2)22(30-4)20(14-17)29-3/h7-10,13-15,21,24-26H,5-6,11-12H2,1-4H3

InChIKey

ADMLIHRZBCNHNR-UHFFFAOYSA-N

Smiles

c1([C@@H](OC(c2cc(c(OC)c(c2)OC)OC)=O)[C@@H](NCCCCO)C)ccc(O)cc1

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.