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Lomefloxacin Hydrochloride
CAS: 98079-52-8 | C17H20ClF2N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
98079-52-8
Molecular Formula:
C17H20ClF2N3O3
Molecular Mass:
387.81 g/mol
Names and Synonyms:
Lomefloxacin Hydrochloride
3-Quinolinecarboxylic acid, 1-ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-, hydrochloride (1:1)
3-Quinolinecarboxylic acid, 1-ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-, monohydrochloride
NY 198
SC 47111
Lomefloxacin hydrochloride
Bareon
Mazaquin
Chimono
Maxaquin
Lomebact
Uniquin
Lomef 400
Lomflox
Lomitas
Lomoxin
Orchacin
Alkaflox
Identifiers:
SMILES:
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21.Cl
InChI:
InChI=1S/C17H19F2N3O3.ClH/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22;/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25);1H
Key Properties
Melting Point
290-300 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 387.81 g/mol | CAS Common Chemistry |
| 387.814 g/mol | RDKit | |
| 387.11612562 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(O)C1=CN(C2=C(F)C(=C(F)C=C2C1=O)N3CCNC(C)C3)CC | CAS Common Chemistry |
| InChI | InChI=1S/C17H19F2N3O3.ClH/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22;/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25);1H | CAS Common Chemistry |
| InChI Key | InChIKey=KXEBLAPZMOQCKO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 290-300 °C (decomp) | CAS Common Chemistry |
| Name | Lomefloxacin hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 74.57000000000001 Ų | RDKit |
| LogP | 2.2177000000000002 | RDKit |
| Molar Refractivity | 97.68300000000004 | RDKit |
