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138372-62-0 | 7H-Pyrido[1,2,3-de]-1,4-benzothiazine-6-carboxylic acid, 9-fluoro-3-(fluoromethyl)-2,3-dihydro-10-(4-methyl-1-piperazinyl)-7-oxo-
CAS No: 138372-62-0 Catalog No: AG0018NU MDL No:
Product Description
Catalog Number:
AG0018NU
Chemical Name:
7H-Pyrido[1,2,3-de]-1,4-benzothiazine-6-carboxylic acid, 9-fluoro-3-(fluoromethyl)-2,3-dihydro-10-(4-methyl-1-piperazinyl)-7-oxo-
CAS Number:
138372-62-0
Molecular Formula:
C18H19F2N3O3S
Molecular Weight:
395.4236
IUPAC Name:
7-fluoro-2-(fluoromethyl)-6-(4-methylpiperazin-1-yl)-10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
InChI:
InChI=1S/C18H19F2N3O3S/c1-21-2-4-22(5-3-21)15-13(20)6-11-14-17(15)27-9-10(7-19)23(14)8-12(16(11)24)18(25)26/h6,8,10H,2-5,7,9H2,1H3,(H,25,26)
InChI Key:
YHMYZZSLDKKBQL-UHFFFAOYSA-N
SMILES:
FCC1CSc2c3n1cc(C(=O)O)c(=O)c3cc(c2N1CCN(CC1)C)F
Properties
Complexity:
656
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.112g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
395.425g/mol
Monoisotopic Mass:
395.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| The in-vitro activity of two new quinolones: rufloxacin and MF 961. | The Journal of antimicrobial chemotherapy 19920601 |
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