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Ciprofloxacin Lactate
CAS: 97867-33-9 | C20H24FN3O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
97867-33-9
Molecular Formula:
C20H24FN3O6
Molecular Mass:
421.43 g/mol
Names and Synonyms:
Ciprofloxacin Lactate
3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, 2-hydroxypropanoate (1:1)
3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, mono(2-hydroxypropanoate)
Propanoic acid, 2-hydroxy-, compd. with 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid (1:1)
Ciprofloxacin lactate
Identifiers:
SMILES:
CC(O)C(=O)O.O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
InChI:
InChI=1S/C17H18FN3O3.C3H6O3/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;1-2(4)3(5)6/h7-10,19H,1-6H2,(H,23,24);2,4H,1H3,(H,5,6)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 421.43 g/mol | CAS Common Chemistry |
| 421.42500000000024 g/mol | RDKit | |
| 421.164913708 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1=CN(C2=CC(=C(F)C=C2C1=O)N3CCNCC3)C4CC4.O=C(O)C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H18FN3O3.C3H6O3/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;1-2(4)3(5)6/h7-10,19H,1-6H2,(H,23,24);2,4H,1H3,(H,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=NRBJWZSFNGZBFQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ciprofloxacin lactate | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 132.1 Ų | RDKit |
| LogP | 1.0350999999999997 | RDKit |
| Molar Refractivity | 107.79560000000008 | RDKit |
