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Substance Name: 5-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(hexahydro-1H-azepin-1-yl)ethoxy)-alpha-(2-(4-hydroxyphenyl)ethyl)-
RN: 40681-08-1
InChIKey: WYHXFZRRIPUGQG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H35-N-O6

Molecular Weight

  • 469.574
 
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Names and Synonyms

Synonym

  • BRN 1672186

Systematic Name

  • 5-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(hexahydro-1H-azepin-1-yl)ethoxy)-alpha-(2-(4-hydroxyphenyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 40681-08-1

System Generated Number

  • 0040681081

Structure Descriptors

InChI

1S/C27H35NO6/c1-31-24-21-13-17-33-25(21)27(32-2)26(34-18-16-28-14-5-3-4-6-15-28)23(24)22(30)12-9-19-7-10-20(29)11-8-19/h7-8,10-11,13,17,22,29-30H,3-6,9,12,14-16,18H2,1-2H3

InChIKey

WYHXFZRRIPUGQG-UHFFFAOYSA-N

Smiles

c1(c(c(c2ccoc2c1OC)OC)[C@@H](CCc1ccc(O)cc1)O)OCCN1CCCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 11mg/kg (11mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 85, 1974.
mouse LD50 oral 1800mg/kg (1800mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 85, 1974.