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Substance Name: Benzamide, 4-amino-5-bromo-2-ethoxy-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, (E)-2-butenedioate (1:1)
RN: 76352-21-1
InChIKey: FOMIFWIFYDAWRS-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-Br-N3-O2.C4-H4-O4

Molecular Weight

  • 574.4688
 
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Names and Synonyms

Synonym

  • exo-4-Amino-5-bromo-2-ethoxy-N-(8-benzyl-8-azabicyclo(3.2.1)oct-3-yl)benzamide fumarate

Systematic Name

  • Benzamide, 4-amino-5-bromo-2-ethoxy-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 76352-21-1

System Generated Number

  • 0076352211

Molecular Formulas

Molecular Formula

  • C23-H28-Br-N3-O2.C4-H4-O4

Molecular Formula Fragments

  • C23-H28-Br-N3-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H28BrN3O2.C4H4O4/c1-2-29-22-13-21(25)20(24)12-19(22)23(28)26-16-10-17-8-9-18(11-16)27(17)14-15-6-4-3-5-7-15;5-3(6)1-2-4(7)8/h3-7,12-13,16-18H,2,8-11,14,25H2,1H3,(H,26,28);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

FOMIFWIFYDAWRS-WLHGVMLRSA-N

Smiles

CCOc1cc(c(cc1C(=O)NC2CC3CCC(C2)N3Cc4ccccc4)Br)N.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 400mg/kg (400mg/kg)   United States Patent Document. Vol. #4321378,