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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 Weight:
331.34700000000004 g/mol
Names and Synonyms:
Ciprofloxacin
Inhaled ciprofloxacin ARD 3150
ARD 3150
1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-ylquinoline-3-carboxylate
1-Cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-quinoline-3-carboxylic acid
Otiprio
AuriPro
OTO 201
Profloxacin
Pulmaquin
Lipoquin
Infu-luxacin
Ciproval
Ciprox
Urociproxin
Cipronex
Ciprodac
Cinthocip 500
Novidate
1-Cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
Quinox XR
Cunesin
Ciproxina
Ciproxim
Cyclofloxacin
Procip
Ciprolet DS
Ciflafin
Ciprovet
Cipromed
Ciprolet
Ciprofloxacine
Ciprofloxacillin
Catex
Oftacifox
Ciprine
1-Cyclopropyl-6-fluoro-1,4-dihydro-7-(1-piperazinyl)-4-oxo-3-quinoline carboxylic acid
Ciprobay 100
Euciprin
Cipropol
Cipro IV
Ciprofloxacin
BAY-q 3939
1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
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)
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 331.35 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)C1=CN(C2=CC(=C(F)C=C2C1=O)N3CCNCC3)C4CC4 | Legacy Database | |
| cas-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) | Legacy Database | |
| cas-inchi-key | InChIKey=MYSWGUAQZAJSOK-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 225-257 °C (decomp) | Legacy Database | |
| cas-name | Ciprofloxacin | Legacy Database | |
| LogP | 1.5833 | RDKit | |
| Molecular | Molecular Weight | 331.34700000000004 g/mol | RDKit |
| Exact | Exact Molecular Weight | 331.13321965599994 g/mol | RDKit |
| Heavy | Heavy Atom Count | 24 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 3 count | RDKit |
| Aromatic | Aromatic Ring Count | 2 count | RDKit |
| Topological | Topological Polar Surface Area | 74.57 Ų | RDKit |
| Molar | Molar Refractivity | 88.47900000000006 | RDKit |
