Pazufloxacin Impurity 16

CAT: 1596-AR-P30497-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P30497-01Size:10 Units

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CAS Number

165071-10-3

Synonyms

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

Molecular Formula

C14H10FNO6

Molecular Weight

307.23

API Name

Pazufloxacin

Chemical Information

(S)-9-Fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-IJ]quinoline-6,10-dicarboxylic acid

CAS Number	165071-10-3
PubChem CID	87057320
IUPAC Name	(2S)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-6,11-dicarboxylic acid
Molecular Formula	C14H10FNO6
Molecular Weight	307.23
XLogP	1.5
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	576

SMILES

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

InChI

InChI=1S/C14H10FNO6/c1-5-4-22-12-9(14(20)21)8(15)2-6-10(12)16(5)3-7(11(6)17)13(18)19/h2-3,5H,4H2,1H3,(H,18,19)(H,20,21)/t5-/m0/s1

InChIKey

HKPADOCNJRWQBN-YFKPBYRVSA-N

Chemical Structure

2D Structure

CAS: 165071-10-3

CID: 87057320

Formula: C14H10FNO6

MW: 307.23

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	307.23
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	307.04921520
Monoisotopic Mass	307.04921520
Topological Polar Surface Area	104 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	576
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