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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
Inhaled ciprofloxacin ARD 3150
ARD 3150
1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-ylquinoline-3-carboxylate
1-Cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-quinoline-3-carboxylic acid
Otiprio
AuriPro
OTO 201
Profloxacin
Pulmaquin
Lipoquin
Infu-luxacin
Ciproval
Ciprox
Urociproxin
Cipronex
Ciprodac
Cinthocip 500
Novidate
1-Cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
Quinox XR
Cunesin
Ciproxina
Ciproxim
Cyclofloxacin
Procip
Ciprolet DS
Ciflafin
Ciprovet
Cipromed
Ciprolet
Ciprofloxacine
Ciprofloxacillin
Catex
Oftacifox
Ciprine
1-Cyclopropyl-6-fluoro-1,4-dihydro-7-(1-piperazinyl)-4-oxo-3-quinoline carboxylic acid
Ciprobay 100
Euciprin
Cipropol
Cipro IV
Ciprofloxacin
BAY-q 3939
1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-

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

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

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

Physical Properties

Property Value Source
LogP 1.5833 RDKit
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

Molar

Property Value Source
Molar Refractivity 88.47900000000006 RDKit

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