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75167-06-5 | 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-, monomethanesulfonate
CAS No: 75167-06-5 Catalog No: AG00563U MDL No:
Product Description
Catalog Number:
AG00563U
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-, monomethanesulfonate
CAS Number:
75167-06-5
Molecular Formula:
C16H21FN4O6S
Molecular Weight:
416.4245
IUPAC Name:
1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid
InChI:
InChI=1S/C15H17FN4O3.CH4O3S/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20;1-5(2,3)4/h7-8,17H,2-6H2,1H3,(H,22,23);1H3,(H,2,3,4)
InChI Key:
VTFJELKHCLOCDI-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.117g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
416.424g/mol
Monoisotopic Mass:
416.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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