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Substance Name: 1H-Azepine-1-carboxamide, hexahydro-N-(3,4,5-trimethoxyphenyl)-
RN: 68060-84-4
InChIKey: VFQYAZZMZDALLJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-N2-O4

Molecular Weight

  • 308.3756
 
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Names and Synonyms

Synonym

  • Hexahydro-N-(3,4,5-trimethoxyphenyl)-1H-azepine-1-carboxamide

Systematic Name

  • 1H-Azepine-1-carboxamide, hexahydro-N-(3,4,5-trimethoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 68060-84-4

System Generated Number

  • 0068060844

Structure Descriptors

InChI

1S/C16H24N2O4/c1-20-13-10-12(11-14(21-2)15(13)22-3)17-16(19)18-8-6-4-5-7-9-18/h10-11H,4-9H2,1-3H3,(H,17,19)

InChIKey

VFQYAZZMZDALLJ-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)OC)NC(=O)N2CCCCCC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #4252804,