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Substance Name: Benzamide, 4-amino-5-chloro-N-((4-((4-cyanophenyl)methyl)-2-morpholinyl)methyl)-2-methoxy-, (E)-2-butenedioate (1:1)
RN: 112885-35-5
InChIKey: OAJSXOKDNLFPMP-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-Cl-N4-O3.C4-H4-O4

Molecular Weight

  • 530.9623
 
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Names and Synonyms

  • Benzamide, 4-amino-5-chloro-N-((4-((4-cyanophenyl)methyl)-2-morpholinyl)methyl)-2-methoxy-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 112885-35-5

System Generated Number

  • 0112885355

Molecular Formulas

Molecular Formula

  • C21-H23-Cl-N4-O3.C4-H4-O4

Molecular Formula Fragments

  • C21-H23-Cl-N4-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23ClN4O3.C4H4O4/c1-28-20-9-19(24)18(22)8-17(20)21(27)25-11-16-13-26(6-7-29-16)12-15-4-2-14(10-23)3-5-15;5-3(6)1-2-4(7)8/h2-5,8-9,16H,6-7,11-13,24H2,1H3,(H,25,27);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

OAJSXOKDNLFPMP-WLHGVMLRSA-N

Smiles

COc1cc(c(cc1C(=O)NCC2CN(CCO2)Cc3ccc(cc3)C#N)Cl)N.C(=C/C(=O)O)\C(=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.