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Substance Name: Urea, 1-(4,7-dimethoxy-6-(2-(1-pyrrolidinyl)butoxy)-5-benzofuranyl)-3-methyl-, hydrate (3:1)
RN: 102433-27-2
InChIKey: IOVIYALQINNPDK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H29-N3-O5.1/3H2-O

Molecular Weight

  • 1192.4101
 
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Names and Synonyms

Synonym

  • N-(4,7-Dimethoxy-6-(2-pyrrolidinobutoxy)-5-benzofuranyl)-N'-methylurea hydrate

Systematic Name

  • Urea, 1-(4,7-dimethoxy-6-(2-(1-pyrrolidinyl)butoxy)-5-benzofuranyl)-3-methyl-, hydrate (3:1)

Registry Numbers

CAS Registry Number

  • 102433-27-2

System Generated Number

  • 0102433272

Molecular Formulas

Molecular Formula

  • C20-H29-N3-O5.1/3H2-O

Molecular Formula Fragments

  • C20-H29-N3-O5
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/3C20H29N3O5.H2O/c3*1-5-13(23-9-6-7-10-23)12-28-18-15(22-20(24)21-2)16(25-3)14-8-11-27-17(14)19(18)26-4;/h3*8,11,13H,5-7,9-10,12H2,1-4H3,(H2,21,22,24);1H2

InChIKey

IOVIYALQINNPDK-UHFFFAOYSA-N

Smiles

CCC(COc1c(c(c2ccoc2c1OC)OC)NC(=O)NC)N3CCCC3.CCC(COc1c(c(c2ccoc2c1OC)OC)NC(=O)NC)N3CCCC3.CCC(COc1c(c(c2ccoc2c1OC)OC)NC(=O)NC)N3CCCC3.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 36mg/kg (36mg/kg)   Journal of Medicinal Chemistry. Vol. 24, Pg. 159, 1981.