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Substance Name: Isobutyramide, N-(4,7-dimethoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)-, hydrochloride, hydrate
RN: 75883-44-2
InChIKey: QHUTYUCBCREXNX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H30-N2-O5.Cl-H.H2-O

Molecular Weight

  • 426.938
 
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Names and Synonyms

Synonym

  • N-(4,7-Dimethoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)isobutyramide hydrochloride hydrate

Systematic Name

  • Isobutyramide, N-(4,7-dimethoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)-, hydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 75883-44-2

System Generated Number

  • 0075883442

Molecular Formulas

Molecular Formula

  • C21-H30-N2-O5.Cl-H.H2-O

Molecular Formula Fragments

  • C21-H30-N2-O5
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H30N2O5.ClH/c1-14(2)21(24)22-16-17(25-3)15-8-12-27-18(15)20(26-4)19(16)28-13-11-23-9-6-5-7-10-23;/h8,12,14H,5-7,9-11,13H2,1-4H3,(H,22,24);1H

InChIKey

QHUTYUCBCREXNX-UHFFFAOYSA-N

Smiles

c1(c(c(c2occc2c1OC)OC)OCC[NH+]1CCCCC1)NC(C(C)C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 78mg/kg (78mg/kg)   Journal of Medicinal Chemistry. Vol. 24, Pg. 159, 1981.