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Home > Other Heterocycles > 139094-71-6
139094-71-6 | 1,8-Naphthyridine-3-carboxamide, 1-butyl-1,2-dihydro-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-2-oxo-, endo-, (2E)-2-butenedioate (1:1) (salt) (9CI)
CAS No: 139094-71-6 Catalog No: AG001A8V MDL No:
Product Description
Catalog Number:
AG001A8V
Chemical Name:
1,8-Naphthyridine-3-carboxamide, 1-butyl-1,2-dihydro-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-2-oxo-, endo-, (2E)-2-butenedioate (1:1) (salt) (9CI)
CAS Number:
139094-71-6
IUPAC Name:
but-2-enedioic acid;1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
InChI:
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)
InChI Key:
FTUILAVUFKKDPL-UHFFFAOYSA-N
Properties
Complexity:
769
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.227g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
500.552g/mol
Monoisotopic Mass:
500.227g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
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