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Substance Name: Benzamide, 4-amino-5-chloro-2-methoxy-N-((4-(1-phenylethyl)-2-morpholinyl)methyl)-, (E)-2-butenedioate, hydrate (2:2:1)
RN: 112884-95-4
InChIKey: JBVROMGWUWWQKD-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-Cl-N3-O3.C4-H4-O4.1/2H2-O

Molecular Weight

  • 519.979
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 112884-95-4

System Generated Number

  • 0112884954

Molecular Formulas

Molecular Formula

  • C21-H26-Cl-N3-O3.C4-H4-O4.1/2H2-O

Molecular Formula Fragments

  • C21-H26-Cl-N3-O3
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H26ClN3O3.C4H4O4/c1-14(15-6-4-3-5-7-15)25-8-9-28-16(13-25)12-24-21(26)17-10-18(22)19(23)11-20(17)27-2;5-3(6)1-2-4(7)8/h3-7,10-11,14,16H,8-9,12-13,23H2,1-2H3,(H,24,26);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

JBVROMGWUWWQKD-WLHGVMLRSA-N

Smiles

CC(c1ccccc1)N2CCOC(C2)CNC(=O)c3cc(c(cc3OC)N)Cl.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.