Home Carboxys 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-naphthyridine-3-carboxylic acid sesquihydrate

1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-naphthyridine-3-carboxylic acid sesquihydrate

CAS No.:
84294-96-2
Catalog Number:
AG003PXG
Molecular Formula:
C30H40F2N8O9
Molecular Weight:
694.6836
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%
1 week
United States
$140
- +
500mg
98%
1 week
United States
$190
- +
5g
>98.0%(T)(HPLC)
1 week
United States
$200
- +
25g
>98.0%(T)(HPLC)
1 week
United States
$519
- +
Product Description
Catalog Number:
AG003PXG
Chemical Name:
1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-naphthyridine-3-carboxylic acid sesquihydrate
CAS Number:
84294-96-2
Molecular Formula:
C30H40F2N8O9
Molecular Weight:
694.6836
MDL Number:
MFCD01747755
IUPAC Name:
1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;trihydrate
InChI:
InChI=1S/2C15H17FN4O3.3H2O/c2*1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20;;;/h2*7-8,17H,2-6H2,1H3,(H,22,23);3*1H2
InChI Key:
DKNNITGJCMPHKE-UHFFFAOYSA-N
SMILES:
CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F.CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F.O.O.O
UNII:
I9CD31N8WB
Properties
Complexity:
521  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
694.289g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
19  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
694.694g/mol
Monoisotopic Mass:
694.289g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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Properties