-
hydrogen 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid chloride
-
ChemBase ID:
287310
-
Molecular Formular:
C17H19ClF2N3O3-
-
Molecular Mass:
386.8008664
-
Monoisotopic Mass:
386.1083006
-
SMILES and InChIs
SMILES:
c1c2c(c(F)c(c1F)N1CC(NCC1)C)n(CC)cc(c2=O)C(=O)O.[Cl-]
Canonical SMILES:
CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F.[Cl-]
InChI:
InChI=1S/C17H19F2N3O3.ClH/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22;/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25);1H/p-1
InChIKey:
KXEBLAPZMOQCKO-UHFFFAOYSA-M
-
Cite this record
CBID:287310 http://www.chembase.cn/molecule-287310.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
hydrogen 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid chloride
|
|
|
IUPAC Traditional name
|
hydrogen lomefloxacin chloride
|
|
|
Synonyms
|
Lomefloxacin hydrochloride
|
|
|
CAS Number
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
5.6432548
|
H Acceptors
|
6
|
H Donor
|
2
|
LogD (pH = 5.5)
|
-0.67024356
|
LogD (pH = 7.4)
|
-0.392002
|
Log P
|
-0.3897759
|
Molar Refractivity
|
90.112 cm3
|
Polarizability
|
32.745754 Å3
|
Polar Surface Area
|
72.88 Å2
|
Rotatable Bonds
|
3
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Purity
|
95+%
|
Show
data source
|
|
PATENTS
PATENTS
PubChem Patent
Google Patent