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Substance Name: Benzamide, 4-amino-5-chloro-2-ethoxy-N-((4-((4-fluorophenyl)methyl)-2-morpholinyl)methyl)-, hydrochloride, dihydrate
RN: 131322-37-7
InChIKey: KKSJPBWSMUPARP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-Cl-F-N3-O3.Cl-H.2H2-O

Molecular Weight

  • 458.3584
 
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Names and Synonyms

  • Benzamide, 4-amino-5-chloro-2-ethoxy-N-((4-((4-fluorophenyl)methyl)-2-morpholinyl)methyl)-, hydrochloride, dihydrate

Registry Numbers

CAS Registry Number

  • 131322-37-7

System Generated Number

  • 0131322377

Molecular Formulas

Molecular Formula

  • C21-H25-Cl-F-N3-O3.Cl-H.2H2-O

Molecular Formula Fragments

  • C21-H25-Cl-F-N3-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H25ClFN3O3.ClH/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14;/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27);1H

InChIKey

KKSJPBWSMUPARP-UHFFFAOYSA-N

Smiles

CCOc1cc(c(cc1C(=O)NCC2CN(CCO2)Cc3ccc(cc3)F)Cl)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 34, Pg. 616, 1991.