Pazufloxacin Impurity 3

CAT: 1299-RM-P160303-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P160303-01Size:10 mg

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CAS Number

164851-44-9

Synonyms

(S) -9-fluoro-10- (3-hydroxypropanoyl) -3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

Molecular Formula

C16H14FNO6

Molecular Weight

335.29

Target Alternative Name

Pazufloxacin

Product Name Synonym

(S) -9-fluoro-10- (3-hydroxypropanoyl) -3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

Chemical Information

Pazufloxacin Impurity 17

CAS Number	164851-44-9
PubChem CID	10042561
IUPAC Name	(2S)-7-fluoro-6-(3-hydroxypropanoyl)-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Molecular Formula	C16H14FNO6
Molecular Weight	335.28
XLogP	0.9
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	605

SMILES

C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2C(=O)CCO)F)C(=O)O

InChI

InChI=1S/C16H14FNO6/c1-7-6-24-15-12(11(20)2-3-19)10(17)4-8-13(15)18(7)5-9(14(8)21)16(22)23/h4-5,7,19H,2-3,6H2,1H3,(H,22,23)/t7-/m0/s1

InChIKey

UVTPMPCARXYOJF-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 164851-44-9

CID: 10042561

Formula: C16H14FNO6

MW: 335.28

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	335.28
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	335.08051533
Monoisotopic Mass	335.08051533
Topological Polar Surface Area	104 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	605
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes