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Enrofloxacin
CAS: 93106-60-6 | C19H22FN3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
93106-60-6
Molecular Formula:
C19H22FN3O3
Molecular Mass:
359.40 g/mol
Names and Synonyms:
Enrofloxacin
Enrofan
Fortius
Alsir
Enrodac
3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-
1-Cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
CFPQ
BAY-Vp 2674
Enrofloxacin
Baytril
N-Ethylciprofloxacin
PD 160788
N′-Ethylciprofloxacin
1-Cyclopropyl-6-fluoro-7-(4-ethyl-1-piperazinyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
Enroxil
Enrogil
Enrocin
Biofloxavet
N-Ethyl ciprofloxacin
Enflocyna Sol
Bayrocin
1-Cyclopropyl-7-(4-ethyl-piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
1-Cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Enroflon
Enrovet
Identifiers:
SMILES:
CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1
InChI:
InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)
Key Properties
Melting Point
219-221 °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 | 359.40 g/mol | CAS Common Chemistry |
| 359.4010000000001 g/mol | RDKit | |
| 359.16451978400005 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1=CN(C2=CC(=C(F)C=C2C1=O)N3CCN(CC)CC3)C4CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26) | CAS Common Chemistry |
| InChI Key | InChIKey=SPFYMRJSYKOXGV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 219-221 °C | CAS Common Chemistry |
| Name | Enrofloxacin | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 65.78 Ų | RDKit |
| LogP | 2.3156 | RDKit |
| Molar Refractivity | 97.72330000000005 | RDKit |
