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Substance Name: 5-Benzofuranmethanol, 6-(2-(bis(1-methylethyl)amino)ethoxy)-4,7-dimethoxy-alpha-(2-(4-methoxyphenyl)ethyl)-
RN: 40680-79-3
InChIKey: XLYIFSCRAIIYBZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H39-N-O6

Molecular Weight

  • 485.617
 
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Names and Synonyms

Synonym

  • BRN 1672207

Systematic Name

  • 5-Benzofuranmethanol, 6-(2-(bis(1-methylethyl)amino)ethoxy)-4,7-dimethoxy-alpha-(2-(4-methoxyphenyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 40680-79-3

System Generated Number

  • 0040680793

Structure Descriptors

InChI

1S/C28H39NO6/c1-18(2)29(19(3)4)15-17-35-27-24(23(30)13-10-20-8-11-21(31-5)12-9-20)25(32-6)22-14-16-34-26(22)28(27)33-7/h8-9,11-12,14,16,18-19,23,30H,10,13,15,17H2,1-7H3

InChIKey

XLYIFSCRAIIYBZ-UHFFFAOYSA-N

Smiles

c1(c(c(c2ccoc2c1OC)OC)[C@@H](CCc1ccc(OC)cc1)O)OCCN(C(C)C)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 13500ug/kg (13.5mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 85, 1974.
mouse LD50 oral 148mg/kg (148mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 85, 1974.