Pazufloxacin Impurity 15

CAT: 1596-AR-P30496-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P30496-01Size:10 Units

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CAS Number

165071-03-4

Synonyms

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

Molecular Formula

C16H14FNO5

Molecular Weight

319.29

API Name

Pazufloxacin

Chemical Information

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

CAS Number	165071-03-4
PubChem CID	101683580
IUPAC Name	(2S)-7-fluoro-2-methyl-10-oxo-6-propanoyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Molecular Formula	C16H14FNO5
Molecular Weight	319.28
XLogP	2.1
Topological Polar Surface Area	83.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	589

SMILES

CCC(=O)C1=C(C=C2C3=C1OC[C@@H](N3C=C(C2=O)C(=O)O)C)F

InChI

InChI=1S/C16H14FNO5/c1-3-11(19)12-10(17)4-8-13-15(12)23-6-7(2)18(13)5-9(14(8)20)16(21)22/h4-5,7H,3,6H2,1-2H3,(H,21,22)/t7-/m0/s1

InChIKey

NSQYKDBCYHDCLS-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 165071-03-4

CID: 101683580

Formula: C16H14FNO5

MW: 319.28

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	319.28
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	319.08560071
Monoisotopic Mass	319.08560071
Topological Polar Surface Area	83.9 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	589
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