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Ciprofloxacin
CAS: 85721-33-1 | C17H18FN3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
85721-33-1
Molecular Formula:
C17H18FN3O3
Molecular Mass:
331.35 g/mol
Names and Synonyms:
Ciprofloxacin
3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
BAY-q 3939
Ciprofloxacin
Cipro IV
Cipropol
Euciprin
Ciprobay 100
1-Cyclopropyl-6-fluoro-1,4-dihydro-7-(1-piperazinyl)-4-oxo-3-quinoline carboxylic acid
Ciprine
Oftacifox
Catex
Ciprofloxacillin
Ciprofloxacine
Ciprolet
Cipromed
Ciprovet
Ciflafin
Ciprolet DS
Procip
Cyclofloxacin
Ciproxim
Ciproxina
Cunesin
Quinox XR
1-Cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
Novidate
Cinthocip 500
Ciprodac
Cipronex
Urociproxin
Ciprox
Ciproval
Infu-luxacin
Lipoquin
Pulmaquin
Profloxacin
OTO 201
AuriPro
Otiprio
1-Cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-quinoline-3-carboxylic acid
1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-ylquinoline-3-carboxylate
ARD 3150
Inhaled ciprofloxacin ARD 3150
Identifiers:
SMILES:
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
InChI:
InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
Key Properties
Melting Point
225-257 °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 | 331.35 g/mol | CAS Common Chemistry |
| 331.34700000000004 g/mol | RDKit | |
| 331.13321965599994 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1=CN(C2=CC(=C(F)C=C2C1=O)N3CCNCC3)C4CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24) | CAS Common Chemistry |
| InChI Key | InChIKey=MYSWGUAQZAJSOK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 225-257 °C (decomp) | CAS Common Chemistry |
| Name | Ciprofloxacin | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 74.57 Ų | RDKit |
| LogP | 1.5833 | RDKit |
| Molar Refractivity | 88.47900000000006 | RDKit |
