What is the molecular formula of Ciprofloxacin?

Ciprofloxacin has a molecular formula of C 17 H 18 FN 3 O 3

What is the InChI Key of Ciprofloxacin molecule?

The InChI Key of Ciprofloxacin is: MYSWGUAQZAJSOK-UHFFFAOYSA-N.

What is the molecular weight of Ciprofloxacin?

Ciprofloxacin presents a molecular weight of 331.342 g/mol.

Ciprofloxacin

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Ciprofloxacin are summarized together with 3D and 2D structures and relevant physico-chemical properties.

Table of Contents

1. What is Ciprofloxacin?
2. 3D Structure
3. Cartesian coordinates
4. 2D Drawing
5. Molecule descriptors
6. Physico-Chemical properties

What is the Ciprofloxacin?

The molecule Ciprofloxacin presents a molecular formula of C₁₇H₁₈FN₃O₃ and its IUPAC name is 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid.

Ciprofloxacin is a molecule belonging to the class of drugs known as quinolone antibiotics. It is used to treat bacterial infections, and is effective against a wide range of bacteria. The ciprofloxacin molecule consists of a quinoline ring system with a fluorine atom at position 6. The molecule is highly lipophilic, and has good binding affinity for the bacterial DNA gyrase enzyme. Ciprofloxacin is bactericidal, and works by inhibiting the bacterial DNA replication and transcription..

3D structure

Cartesian coordinates

Geometry of Ciprofloxacin in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

Ciprofloxacin MYSWGUAQZAJSOK-UHFFFAOYSA-N chemical compound 2D structure molecule svg — Ciprofloxacin

Molecule descriptors

IUPAC name	1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
InChI code	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)
InChI Key	MYSWGUAQZAJSOK-UHFFFAOYSA-N
SMILES	O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID
1-Cyclopropyl-6-fluoro-1,4-dihydro 4-oxo-7-[1-piperazinyl)-quinoline-3-carboxylic Acid
1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7- (1-piperazinyl)-3-quinoline-carboxylic acid
1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinoline-carboxylic acid
1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
1-Cyclopropyl-6-fluoro-1,4-dihydro-7-(1-piperazinyl)-4-oxo-3-quinoline carboxylic acid
1-Cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydro-3-quinolinecarboxylic acid
1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid
1-Cyclopropyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-quinoline -3-carboxylic acid
1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-quinoline-3-carboxylic acid
1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)quinoline-3-carboxylic acid
1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1piperazinyl)-3quinolinecarboxylic acid
1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(piperazin-1-yl)-quinoline-3-carboxylic acid
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylicacid
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate;Ciprofloxacin
1-cyclopropyl-6-fluoro-4-oxo-7-piperazinylhydroquinoline-3-carboxylic acid
1-cyclopropyl-6-fluoro-7-(piperazin-1-yl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
1-cyclopropyl-6-fluoro-7-hexahydro-1-pyrazinyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-
3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride
5E8K9I0O4U
721C331
85721-33-1
A841426
AC-7613
ANHYDROUS CIPROFLOXACIN
Alcon Cilox
AuriPro
BAY O 9867 FREE BASE
BAY q 3939
BAY-O-9867 FREE BASE
BAY-O9867
BAY-Q-3939
BAY-o 9867
BAYQ3939
BBL005612
BCP28586
BDBM21690
BIDD:GT0205
BPBio1_000140
BRN 3568352
BSPBio_000126
BSPBio_003344
Bacquinor
Baflox
Bay 09867
Bay o 9867
Bay o 9867 (*Hydrochloride*)
Bay-09867
Bernoflox
Bi-Cipro
C-6350
C05349
CBMicro_048498
CCG-39345
CCRIS 5241
CIPRODEX COMPONENT CIPROFLOXACIN
CIPROFLOXACIN COMPONENT OF CIPRODEX
CIPROFLOXACIN EXTENDED RELEASE
CPFX
Cetraxal
Ciflox
Cifloxin
Cilab
Ciloxan (*Hydrochloride*)
Ciplus
Ciprecu
Ciprine
Ciprinol
Cipro
Cipro (*Hydrochloride*)
Cipro IV
Cipro XR
Ciprobay
Ciprobay Uro
Ciprocinol
Ciprodar
Ciproflox
Ciprofloxacin
Ciprofloxacin (Cipro)
Ciprofloxacin (JP17/USP/INN)
Ciprofloxacin monohydrochloride
Ciprofloxacin, Antibiotic for Culture Media Use Only
Ciprofloxacin,(S)
Ciprofloxacina
Ciprofloxacine
Ciprofloxacino
Ciprofloxacinum
Ciprogis
Ciprolin
Ciprolon
Cipromycin
Ciproquinol
Ciprowin
Ciproxan
Ciproxin
Ciproxina
Ciproxine
Ciriax
Citopcin
Cixan
Corsacin
Cycin
Cyprobay
D00186
DB00537
DivK1c_000095
Eni
FT-0601635
Fimoflox
GTPL10902
HMS1922E18
HMS2090O07
HMS2093I03
HMS500E17
HSDB 6987
HY-B0356
IDI1_000095
Ipiflox
Italnik
KBio1_000095
KBio2_000642
KBio2_003210
KBio2_005778
KBio3_002846
KBioGR_001567
KBioSS_000642
KS-5006
Linhaliq
Loxan
MFCD00185755
MLS001336035
MLS006011837
NCGC00016959-01
NCGC00016959-02
NCGC00016959-03
NCGC00016959-04
NCGC00016959-05
NCGC00016959-07
NCGC00095058-01
NCGC00095058-02
NCGC00178128-01
NINDS_000095
NSC 758467
NSC-758467
NSC-759028
NSC620634
NSC758467
NSC759028
Oprea1_008239
Oprea1_313572
Otiprio
Pharmakon1600-01503614
Prestwick0_000113
Prestwick1_000113
Prestwick2_000113
Prestwick3_000113
Probiox
Proflaxin
Proksi 250
Proksi 500
Q256602
Quinolid
Quintor
RKL10073
Rancif
Roxytal
SBI-0048462.P003
SMP1_000125
SMR000471901
SPECTRUM1503614
SR-05000001863
SR-05000001863-1
SR-05000001863-3
STK021082
Septicide
Sophixin Ofteno
Spitacin
Superocin
Unex
Velmonit
Z56933707
Zumaflox
ciprofloxacin
rubrum
s2027

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:

CAS number (Chemical Abstracts Service Registry Number) is a unique identifier is assigned to every chemical compound indexed in the CAS database.
Beilstein: The Beilstein database is a comprehensive source of information on organic chemistry, including information on chemical structures, properties, and reactions. The Beilstein database assigns unique identifiers which can be used to identify compounds in scientific literature and other sources.
ChEBI (Chemical Entities of Biological Interest): ChEBI is a database of small chemical molecules that are of interest in the field of biology.
PubChem CID (Compound Identifier): PubChem is a database of chemical compounds that is maintained by the National Institutes of Health (NIH).
RTECS number (Registry of Toxic Effects of Chemical Substances): The RTECS is a database of information on the toxic effects of chemicals, including information on their structures and properties.
ChEMBL (Compound Bioactivity Data): ChEMBL is a database of bioactivity data for small molecules, including information on their properties and structures.
CompTox Dashboard (Environmental Protection Agency): The CompTox Dashboard is a database of information on the toxicology and environmental effects of chemicals.

ZINC20220
CAS-93107-08-5
UNII-5E8K9I0O4U
AKOS000269653
ALBB-015909
BRD-K04804440-311-02-3
DTXSID8022824
CHEMBL8
CHEBI:100241
SPBio_001474
SPBio_002065
SCHEMBL2900
Spectrum_000162
Spectrum2_001567
Spectrum3_001872
Spectrum4_000874
Spectrum5_001089

Physico-Chemical properties

IUPAC name	1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
Molecular formula	C₁₇H₁₈FN₃O₃
Molecular weight	331.342
Melting point (ºC)
Boiling point (ºC)
Density (g/cm³)
Molar refractivity	95.25
LogP	2.0
Topological polar surface area	74.6

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (K_ow) data is applied in toxicology and drug research. K_ow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(K_ow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å² are required. Thus, molecules with a polar surface area greater than 140 Å² tend to be poorly permeable to cell membranes.