Lomefloxacin Impurity 4

CAT: 1299-RM-L130367-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L130367-01Size:10 mg

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

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CAS Number

111234-01-6

Synonyms

8-chloro-1-ethyl-6-fluoro-7- (3-methylpiperazin-1-yl) -4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Molecular Formula

C17H19ClFN3O3

Molecular Weight

367.81

Target Alternative Name

Lomefloxacin

Product Name Synonym

8-chloro-1-ethyl-6-fluoro-7- (3-methylpiperazin-1-yl) -4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Chemical Information

8-Chloro-1-ethyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

CAS Number	111234-01-6
PubChem CID	14896557
IUPAC Name	8-chloro-1-ethyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Molecular Formula	C17H19ClFN3O3
Molecular Weight	367.8
XLogP	-0.3
Topological Polar Surface Area	72.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	587

SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)Cl)N3CCNC(C3)C)F)C(=O)O

InChI

InChI=1S/C17H19ClFN3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(19)15(13(18)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)

InChIKey

FFGTWOOAZSQXPJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111234-01-6

CID: 14896557

Formula: C17H19ClFN3O3

MW: 367.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	367.8
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	367.1098973
Monoisotopic Mass	367.1098973
Topological Polar Surface Area	72.9 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	587
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes