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Substance Name: Methanone, (5-bromo-2-benzofuranyl)(4-((dimethylamino)methyl)-5-hydroxy-2-methyl-3-benzofuranyl)-, hydrochloride, hydrate
RN: 132994-00-4
InChIKey: JSGQZCVRXBNZDD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H18-Br-N-O4.Cl-H.H2-O

Molecular Weight

  • 464.7411
 
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Names and Synonyms

Synonym

  • 2-Methyl-3-(5'-bromobenzofuroyl-2')-4-dimethylaminomethyl-5-hydroxybenzofuran HCl H20

Systematic Name

  • Methanone, (5-bromo-2-benzofuranyl)(4-((dimethylamino)methyl)-5-hydroxy-2-methyl-3-benzofuranyl)-, hydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 132994-00-4

System Generated Number

  • 0132994004

Molecular Formulas

Molecular Formula

  • C21-H18-Br-N-O4.Cl-H.H2-O

Molecular Formula Fragments

  • C21-H18-Br-N-O4
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H18BrNO4.ClH/c1-11-19(20-14(10-23(2)3)15(24)5-7-17(20)26-11)21(25)18-9-12-8-13(22)4-6-16(12)27-18;/h4-9,24H,10H2,1-3H3;1H

InChIKey

JSGQZCVRXBNZDD-UHFFFAOYSA-N

Smiles

Cc1c(c2c(o1)ccc(c2CN(C)C)O)C(=O)c3cc4cc(ccc4o3)Br.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 24, Pg. 896, 1990.