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Molecule
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
Identifiers
CAS Registry Number
98079-51-7
SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21
InChI Key
ZEKZLJVOYLTDKK-UHFFFAOYSA-N
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)
Names and Synonyms
- Lomefloxacin Common Name
- 3-Quinolinecarboxylic acid, 1-ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo- Synonym
- 1-Ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid Synonym
- Lomefloxacin Synonym
- SC 47111A Synonym
- DM 10 Synonym
- 1-Ethyl-6,8-difluoro-7-(3-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-3-quinoline carboxylic acid Synonym
- DM 10 (bactericide) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 351.35 g/mol | CAS Common Chemistry |
| 351.353 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 |
| 4 | RDKit | |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 74.57000000000001 Ų | RDKit |
| 74.57 Ų | RDKit | |
| 81.41 Ų | chempirical lib | |
| LogP | 1.7959 | RDKit |
| Molar Refractivity | 90.43500000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4118 | RDKit |
| 0.41 | chempirical lib | |
| Exact Mass | 351.139447908 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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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.
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MW = 351.35 g/mol. Edit any field — others recompute live.
