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Substance Name: 5-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(hexahydro-1H-azepin-1-yl)ethoxy)-alpha-(2-(3-hydroxyphenyl)ethyl)-
RN: 40681-07-0
InChIKey: MSAYETGGORJZKB-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 1672184

Systematic Name

  • 5-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(hexahydro-1H-azepin-1-yl)ethoxy)-alpha-(2-(3-hydroxyphenyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 40681-07-0

System Generated Number

  • 0040681070

Structure Descriptors

InChI

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

InChIKey

MSAYETGGORJZKB-UHFFFAOYSA-N

Smiles

c1(c(c(c2ccoc2c1OC)OC)[C@@H](CCc1cc(ccc1)O)O)OCCN1CCCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 7500ug/kg (7.5mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 85, 1974.
mouse LD50 oral 160mg/kg (160mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 85, 1974.