Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: o-Catechol, 4-(2-(N-propyl-N-(4-(3,4,5-trimethoxybenzoyloxy)butyl)amino)propyl)-
RN: 96004-78-3
InChIKey: MTEKJUQZXSIOQR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H37-N-O7

Molecular Weight

  • 475.578
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1,2-Benzenediol, 4-(2-(N-propyl-N-(4-(3,4,5-trimethoxybenzoyloxy)butyl)amino)propyl)-
  • 4-(2-(N-Propyl-N-(4-(3,4,5-trimethoxybenzoyloxy)butyl)amino)propyl)-o-catechol

Systematic Name

  • o-Catechol, 4-(2-(N-propyl-N-(4-(3,4,5-trimethoxybenzoyloxy)butyl)amino)propyl)-

Registry Numbers

CAS Registry Number

  • 96004-78-3

System Generated Number

  • 0096004783

Structure Descriptors

InChI

1S/C26H37NO7/c1-6-11-27(18(2)14-19-9-10-21(28)22(29)15-19)12-7-8-13-34-26(30)20-16-23(31-3)25(33-5)24(17-20)32-4/h9-10,15-18,28-29H,6-8,11-14H2,1-5H3

InChIKey

MTEKJUQZXSIOQR-UHFFFAOYSA-N

Smiles

c1(cc(c(OC)c(c1)OC)OC)C(OCCCC[N@@]([C@@H](Cc1cc(c(O)cc1)O)C)CCC)=O

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.