5-Amino-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

HCID 5257
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
111542-93-9
Standard SMILES
CC1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC(C)N1
InChIKey
DZZWHBIBMUVIIW-UHFFFAOYSA-N
Molecular formula
C19H22F2N4O3
Average molar mass
392.4 g/mol
Monoisotopic mass
392.165997

Overview

See also: Sparfloxacin (annotation moved to).

Names & identifiers

Preferred name
5-Amino-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC
5-amino-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
English name
Sparfloxacin
Molecular formula
C19H22F2N4O3
Molecular weight
392.4

Names & synonyms

111542-93-95-amino-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidDTXSID9058652RefChem:300901DTXCID6032304C19H22F2N4O35-Amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acidNCGC00159333-02A6KPS798SX5-amino-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acidMLS001213240CHEMBL15273
Show more names
PD-131501SPARFLOXACINSparfloxacinHClSparfloxacinSparaValine Impurity 118Sparfloxacin USP/EP/BPSparfloxacinhydrochlorideSparfloxacin Intermediates5-AMINO-1-CYCLOHEXYL-7-(CIS-3,5-DIMETHYLPIPERAZINO)-6,8-DIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINECARBOXYLIC ACID
SCHEMBL1387460HMS3655C20HMS5080G195-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acids1884AKOS0041199715-Amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid,

Database identifiers

CAS
111542-93-9
PubChem CID
5257
DTXSID
DTXSID9058652
ChEMBL
CHEMBL15273
UNII
A6KPS798SX
Nikkaji
J380.581F

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
98.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
3
Heavy atoms
28

Experimental & physicochemical properties

Dissociation Constants6.1

Physicochemical properties

Melting point
260 · 260-265 °C
Boiling point
640.4 · 640.4±55.0 °C(Predicted)
Density
1.436 · 1.436±0.06 g/cm3(Predicted)
storage temp.
-20 °C · -20°C Freezer
solubility
Chloroform (Slightly), Methanol (Slightly, Heated)
pka
6.42 · 6.42±0.50(Predicted)

Safety & regulation

Safety data

wgk
2
rtecs
VB1986500
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

Chemistry & industry

Applications

UsesAntibacterial.

Upstream & downstream products

Suppliers40 total

北京华美互利生物化工010-56205725 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
Wuhan Chemwonders Technology Inc.027-85778276 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]

Additional notes

DefinitionChEBI: Sparfloxacin is a quinolone, a quinolinemonocarboxylic acid, a N-arylpiperazine, a quinolone antibiotic and a fluoroquinolone antibiotic.

Related reactions

1 records
New reaction record

Compound notes

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