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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.

External Resources

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

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