Name: Name:7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-4-oxido-1-piperazinyl)-7-oxo-
Brand: Angene
SKU: AG007XKW
Rating: 90 (10 reviews)

7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-4-oxido-1-piperazinyl)-7-oxo-

CAS No.:

104721-52-0

Catalog Number:

AG007XKW

Molecular Formula:

C18H20FN3O5

Molecular Weight:

377.3669

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Product Description

Catalog Number:

AG007XKW

Chemical Name:

7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-4-oxido-1-piperazinyl)-7-oxo-

CAS Number:

104721-52-0

Molecular Formula:

C18H20FN3O5

Molecular Weight:

377.3669

MDL Number:

MFCD18251279

IUPAC Name:

7-fluoro-2-methyl-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

InChI:

InChI=1S/C18H20FN3O5/c1-10-9-27-17-14-11(16(23)12(18(24)25)8-21(10)14)7-13(19)15(17)20-3-5-22(2,26)6-4-20/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)

InChI Key:

MVLAUMUQGRQERL-UHFFFAOYSA-N

SMILES:

Fc1cc2c3c(c1N1CC[N+](CC1)([O-])C)OCC(n3cc(c2=O)C(=O)O)C

Properties

Complexity:

678

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

377.139g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

377.372g/mol

Monoisotopic Mass:

377.139g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Stereoselective determination of ofloxacin and its metabolites in human urine by capillary electrophoresis using laser-induced fluorescence detection.	Journal of chromatography. B, Biomedical sciences and applications 20010415