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Substance Name: 5-Pyrimidinecarboxamide, 2-amino-N-(8-((4-bromophenyl)methyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-methoxy-, monohydrochloride, exo-
RN: 76352-04-0
InChIKey: OUUHVQNESCDWRF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-Br-N5-O2.Cl-H

Molecular Weight

  • 482.8075
 
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Names and Synonyms

  • 5-Pyrimidinecarboxamide, 2-amino-N-(8-((4-bromophenyl)methyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-methoxy-, monohydrochloride, exo-

Registry Numbers

CAS Registry Number

  • 76352-04-0

System Generated Number

  • 0076352040

Molecular Formulas

Molecular Formula

  • C20-H24-Br-N5-O2.Cl-H

Molecular Formula Fragments

  • C20-H24-Br-N5-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24BrN5O2.ClH/c1-28-19-17(10-23-20(22)25-19)18(27)24-14-8-15-6-7-16(9-14)26(15)11-12-2-4-13(21)5-3-12;/h2-5,10,14-16H,6-9,11H2,1H3,(H,24,27)(H2,22,23,25);1H

InChIKey

OUUHVQNESCDWRF-UHFFFAOYSA-N

Smiles

COc1c(cnc(n1)N)C(=O)NC2CC3CCC(C2)N3Cc4ccc(cc4)Br.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 170mg/kg (170mg/kg)   United States Patent Document. Vol. #4321378,