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Molecule
Ciprofloxacin
CAS: 85721-33-1 · C17H18FN3O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 85721-33-1
- Molecular Formula
- C17H18FN3O3
- Molecular Mass
- 331.35 g/mol
Identifiers
CAS Registry Number
85721-33-1
SMILES
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
InChI Key
MYSWGUAQZAJSOK-UHFFFAOYSA-N
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)
Names and Synonyms
- Ciprofloxacin Common Name
- 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)- Synonym
- 1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid Synonym
- BAY-q 3939 Synonym
- Ciprofloxacin Synonym
- Cipro IV Synonym
- Cipropol Synonym
- Euciprin Synonym
- Ciprobay 100 Synonym
- 1-Cyclopropyl-6-fluoro-1,4-dihydro-7-(1-piperazinyl)-4-oxo-3-quinoline carboxylic acid Synonym
- Ciprine Synonym
- Oftacifox Synonym
- Catex Synonym
- Ciprofloxacillin Synonym
- Ciprofloxacine Synonym
- Ciprolet Synonym
- Cipromed Synonym
- Ciprovet Synonym
- Ciflafin Synonym
- Ciprolet DS Synonym
- Procip Synonym
- Cyclofloxacin Synonym
- Ciproxim Synonym
- Ciproxina Synonym
- Cunesin Synonym
- Quinox XR Synonym
- 1-Cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid Synonym
- Novidate Synonym
- Cinthocip 500 Synonym
- Ciprodac Synonym
- Cipronex Synonym
- Urociproxin Synonym
- Ciprox Synonym
- Ciproval Synonym
- Infu-luxacin Synonym
- Lipoquin Synonym
- Pulmaquin Synonym
- Profloxacin Synonym
- OTO 201 Synonym
- AuriPro Synonym
- Otiprio Synonym
- 1-Cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-quinoline-3-carboxylic acid Synonym
- 1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-ylquinoline-3-carboxylate Synonym
- ARD 3150 Synonym
- Inhaled ciprofloxacin ARD 3150 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 331.35 g/mol | CAS Common Chemistry |
| 331.34700000000004 g/mol | RDKit | |
| 331.347 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 |
| 4 | RDKit | |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 74.57 Ų | RDKit |
| 81.41 Ų | chempirical lib | |
| LogP | 1.5833 | RDKit |
| Molar Refractivity | 88.47900000000006 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4118 | RDKit |
| 0.41 | chempirical lib | |
| Exact Mass | 331.13321965599994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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 = 331.35 g/mol. Edit any field — others recompute live.
