Sparfloxacin Impurity 15

CAT: 1596-AR-S10700-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-S10700-01Size:10 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

119354-66-4

Molecular Formula

C19H22F2N4O3

Molecular Weight

392.41

API Name

Sparfloxacin

Chemical Information

Quinolone analog 9

CAS Number	119354-66-4
PubChem CID	14300397
IUPAC Name	1-cyclopropyl-6,8-difluoro-5-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Molecular Formula	C19H22F2N4O3
Molecular Weight	392.4
XLogP	0.4
Topological Polar Surface Area	76.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	678

SMILES

CNC1=C2C(=C(C(=C1F)N3CCN(CC3)C)F)N(C=C(C2=O)C(=O)O)C4CC4

InChI

InChI=1S/C19H22F2N4O3/c1-22-15-12-16(25(10-3-4-10)9-11(18(12)26)19(27)28)14(21)17(13(15)20)24-7-5-23(2)6-8-24/h9-10,22H,3-8H2,1-2H3,(H,27,28)

InChIKey

ISOAWSGILRYNDU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119354-66-4

CID: 14300397

Formula: C19H22F2N4O3

MW: 392.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	392.4
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	392.16599690
Monoisotopic Mass	392.16599690
Topological Polar Surface Area	76.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	678
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
B2030-5000	Sparfloxacin