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Substance Name: 5-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(3-hydroxyphenyl)ethyl)-6- (2-(1-pyrrolidinyl)ethoxy)-
RN: 40680-99-7
InChIKey: AYHWGRWLMHSBGC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-N-O6

Molecular Weight

  • 441.521
 
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Names and Synonyms

  • 5-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(3-hydroxyphenyl)ethyl)-6- (2-(1-pyrrolidinyl)ethoxy)-

Registry Numbers

CAS Registry Number

  • 40680-99-7

System Generated Number

  • 0040680997

Structure Descriptors

InChI

1S/C25H31NO6/c1-29-22-19-10-14-31-23(19)25(30-2)24(32-15-13-26-11-3-4-12-26)21(22)20(28)9-8-17-6-5-7-18(27)16-17/h5-7,10,14,16,20,27-28H,3-4,8-9,11-13,15H2,1-2H3

InChIKey

AYHWGRWLMHSBGC-UHFFFAOYSA-N

Smiles

c1(c(c(c2ccoc2c1OC)OC)[C@@H](CCc1cc(ccc1)O)O)OCCN1CCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 8mg/kg (8mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 85, 1974.
mouse LD50 oral 130mg/kg (130mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 85, 1974.