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Lomefloxacin
CAS: 98079-51-7 | C17H19F2N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
98079-51-7
Molecular Formula:
C17H19F2N3O3
Molecular Mass:
351.35 g/mol
Names and Synonyms:
Lomefloxacin
3-Quinolinecarboxylic acid, 1-ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-
1-Ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid
Lomefloxacin
SC 47111A
DM 10
1-Ethyl-6,8-difluoro-7-(3-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-3-quinoline carboxylic acid
DM 10 (bactericide)
Identifiers:
SMILES:
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21
InChI:
InChI=1S/C17H19F2N3O3/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)
Key Properties
Melting Point
239-240.5 °C
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 | 351.35 g/mol | CAS Common Chemistry |
| 351.353 g/mol | RDKit | |
| 351.139447908 g/mol | RDKit | |
| Canonical SMILES | 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/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) | CAS Common Chemistry |
| InChI Key | InChIKey=ZEKZLJVOYLTDKK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 239-240.5 °C | CAS Common Chemistry |
| Name | Lomefloxacin | CAS Common Chemistry |
| Heavy Atom Count | 25 | 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 | 1.7959 | RDKit |
| Molar Refractivity | 90.43500000000004 | RDKit |
