Back to Search
Ofloxacin
CAS: 82419-36-1 | C18H20FN3O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
82419-36-1
Molecular Formula:
C18H20FN3O4
Molecular Weight:
361.37300000000005 g/mol
Names and Synonyms:
Ofloxacin
Sanke
Gailuoxian
Oflicin
OFLO
Oquin
Zenflox
Traflox
Otoxin
9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-piperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-
7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, (±)-
9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
DL 8280
Ofloxacine
HOE 280
Ofloxacin
(±)-Ofloxacin
ORF 18489
PT 01
Tarivid
Floxin
Visiren
9-Fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
9-Fluoro-2,3-dihydro-3-methyl-10-(N-methylpiperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
Ocuflox
Oflox
Floxal
Floxil
Flobacin
Visren
Exocin
Oxaldin
Oflocet
Oflocin
Tariferid
Ofloxin
Zanocin
Oflin
WP 0405
Ofxin
Ofloren
Oflovir
Surnor
Kirol
Prifloxcin
Olfo 200
Prifloxin
Tarivan
Meneflox
Identifiers:
SMILES:
CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
InChI:
InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 361.37 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)C1=CN2C3=C(OCC2C)C(=C(F)C=C3C1=O)N4CCN(C)CC4 None | Legacy Database |
| cas-inchi | InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25) None | Legacy Database |
| cas-inchi-key | InChIKey=GSDSWSVVBLHKDQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 254 °C (decomp) None | Legacy Database |
| cas-name | Ofloxacin None | Legacy Database |
| LogP | 1.5439999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 361.37300000000005 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 361.14378433999997 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 26 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 75.00999999999999 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 95.04130000000004 | RDKit |
