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Substance Name: 1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)-2-oxo-, endo-, (E)-2-butenedioate (1:1) (salt)
RN: 139094-71-6
InChIKey: FTUILAVUFKKDPL-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H28-N4-O3.C4-H4-O4

Molecular Weight

  • 500.5488
 
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Names and Synonyms

  • 1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)-2-oxo-, endo-, (E)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 139094-71-6

System Generated Number

  • 0139094716

Molecular Formulas

Molecular Formula

  • C21-H28-N4-O3.C4-H4-O4

Molecular Formula Fragments

  • C21-H28-N4-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H28N4O3.C4H4O4/c1-3-4-10-25-19-16(6-5-9-22-19)18(26)17(21(25)28)20(27)23-13-11-14-7-8-15(12-13)24(14)2;5-3(6)1-2-4(7)8/h5-6,9,13-15,26H,3-4,7-8,10-12H2,1-2H3,(H,23,27);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

FTUILAVUFKKDPL-WLHGVMLRSA-N

Smiles

CCCCn1c2c(cccn2)c(c(c1=O)C(=O)NC3CC4CCC(C3)N4C)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 33700ug/kg (33.7mg/kg)   Journal of Medicinal Chemistry. Vol. 36, Pg. 617, 1993.