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Substance Name: 5-Pyrimidinecarboxamide, 2-amino-N-(8-(o-fluorobenzyl)-3-beta-nortropanyl)-4-methoxy-, monomaleate
RN: 84936-80-1
InChIKey: IBIXHNRJABDIHP-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-F-N5-O2.C4-H4-O4

Molecular Weight

  • 501.5122
 
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Names and Synonyms

Synonym

  • 2-Amino-N-(8-(o-fluorobenzyl)-3-beta-nortropanyl)-4-methoxy-5-pyrimidinecarboxamide

Systematic Name

  • 5-Pyrimidinecarboxamide, 2-amino-N-(8-(o-fluorobenzyl)-3-beta-nortropanyl)-4-methoxy-, monomaleate

Registry Numbers

CAS Registry Number

  • 84936-80-1

System Generated Number

  • 0084936801

Molecular Formulas

Molecular Formula

  • C20-H24-F-N5-O2.C4-H4-O4

Molecular Formula Fragments

  • C20-H24-F-N5-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24FN5O2.C4H4O4/c1-28-19-16(10-23-20(22)25-19)18(27)24-13-8-14-6-7-15(9-13)26(14)11-12-4-2-3-5-17(12)21;5-3(6)1-2-4(7)8/h2-5,10,13-15H,6-9,11H2,1H3,(H,24,27)(H2,22,23,25);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

IBIXHNRJABDIHP-WLHGVMLRSA-N

Smiles

COc1c(cnc(n1)N)C(=O)NC2CC3CCC(C2)N3Cc4ccccc4F.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 19, Pg. 105, 1984.