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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
Common Name
Inhaled ciprofloxacin ARD 3150
Synonym
ARD 3150
Synonym
1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-ylquinoline-3-carboxylate
Synonym
1-Cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-quinoline-3-carboxylic acid
Synonym
Otiprio
Synonym
AuriPro
Synonym
OTO 201
Synonym
Profloxacin
Synonym
Pulmaquin
Synonym
Lipoquin
Synonym
Infu-luxacin
Synonym
Ciproval
Synonym
Ciprox
Synonym
Urociproxin
Synonym
Cipronex
Synonym
Ciprodac
Synonym
Cinthocip 500
Synonym
Novidate
Synonym
1-Cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
Synonym
Quinox XR
Synonym
Cunesin
Synonym
Ciproxina
Synonym
Ciproxim
Synonym
Cyclofloxacin
Synonym
Procip
Synonym
Ciprolet DS
Synonym
Ciflafin
Synonym
Ciprovet
Synonym
Cipromed
Synonym
Ciprolet
Synonym
Ciprofloxacine
Synonym
Ciprofloxacillin
Synonym
Catex
Synonym
Oftacifox
Synonym
Ciprine
Synonym
1-Cyclopropyl-6-fluoro-1,4-dihydro-7-(1-piperazinyl)-4-oxo-3-quinoline carboxylic acid
Synonym
Ciprobay 100
Synonym
Euciprin
Synonym
Cipropol
Synonym
Cipro IV
Synonym
Ciprofloxacin
Synonym
BAY-q 3939
Synonym
1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
Synonym
3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
Synonym
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 |
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| 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 None | 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) None | Legacy Database |
| cas-inchi-key | InChIKey=MYSWGUAQZAJSOK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 225-257 °C (decomp) None | Legacy Database |
| cas-name | Ciprofloxacin None | Legacy Database |
| LogP | 1.5833 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 331.34700000000004 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 331.13321965599994 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 24 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 74.57 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 88.47900000000006 | RDKit |