Pazufloxacin Impurity 13

CAT: 1596-AR-P30494-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P30494-01Size:10 Units

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CAS Number

127046-18-8

Synonyms

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

Molecular Formula

C18H19FN2O4

Molecular Weight

346.36

API Name

Pazufloxacin

Chemical Information

Pazufloxacin

LSM-5745 is a member of quinolines.

CAS Number	127046-18-8
PubChem CID	65957
IUPAC Name	(2S)-6-(1-aminocyclopropyl)-7-fluoro-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	C16H15FN2O4
Molecular Weight	318.30
XLogP	-0.8
Topological Polar Surface Area	92.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	23
Formal Charge	0
Complexity	603

SMILES

C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2C4(CC4)N)F)C(=O)O

InChI

InChI=1S/C16H15FN2O4/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22/h4-5,7H,2-3,6,18H2,1H3,(H,21,22)/t7-/m0/s1

InChIKey

XAGMUUZPGZWTRP-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 127046-18-8

CID: 65957

Formula: C16H15FN2O4

MW: 318.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	318.30
XLogP3	-0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	318.10158513
Monoisotopic Mass	318.10158513
Topological Polar Surface Area	92.9 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	603
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