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Substance Name: Benzamide, 4-amino-5-chloro-2-ethoxy-N-((4-(1-phenylethyl)-2-morpholinyl)methyl)-, ethanedioate, hydrate (1:1:1)
RN: 112886-39-2
InChIKey: UEDQUEXBXMYDHU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-Cl-N3-O3.C2-H2-O4.H2-O

Molecular Weight

  • 507.968
 
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Names and Synonyms

  • Benzamide, 4-amino-5-chloro-2-ethoxy-N-((4-(1-phenylethyl)-2-morpholinyl)methyl)-, ethanedioate, hydrate (1:1:1)

Registry Numbers

CAS Registry Number

  • 112886-39-2

System Generated Number

  • 0112886392

Molecular Formulas

Molecular Formula

  • C22-H28-Cl-N3-O3.C2-H2-O4.H2-O

Molecular Formula Fragments

  • C2-H2-O4
  • C22-H28-Cl-N3-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H28ClN3O3.C2H2O4/c1-3-28-21-12-20(24)19(23)11-18(21)22(27)25-13-17-14-26(9-10-29-17)15(2)16-7-5-4-6-8-16;3-1(4)2(5)6/h4-8,11-12,15,17H,3,9-10,13-14,24H2,1-2H3,(H,25,27);(H,3,4)(H,5,6)

InChIKey

UEDQUEXBXMYDHU-UHFFFAOYSA-N

Smiles

CCOc1cc(c(cc1C(=O)NCC2CN(CCO2)C(C)c3ccccc3)Cl)N.C(=O)(C(=O)O)O

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.