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Substance Name: 2-Propen-1-one, 1-(6-(2-(hexahydro-1H-azepin-1-yl)ethoxy)-4,7-dimethoxy-5-benzofuranyl)-3-(3-hydroxyphenyl)-
RN: 41226-50-0
InChIKey: NMEWGUXZKONXKI-ZHACJKMWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H31-N-O6

Molecular Weight

  • 465.5429
 
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Names and Synonyms

  • 2-Propen-1-one, 1-(6-(2-(hexahydro-1H-azepin-1-yl)ethoxy)-4,7-dimethoxy-5-benzofuranyl)-3-(3-hydroxyphenyl)-

Registry Numbers

CAS Registry Number

  • 41226-50-0

System Generated Number

  • 0041226500

Structure Descriptors

InChI

1S/C27H31NO6/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/h7-12,16,18,29H,3-6,13-15,17H2,1-2H3/b11-10+

InChIKey

NMEWGUXZKONXKI-ZHACJKMWSA-N

Smiles

COc1c2ccoc2c(c(c1C(=O)/C=C/c3cccc(c3)O)OCCN4CCCCCC4)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD oral > 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #3862176,