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98079-52-8 molecular structure
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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

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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
98079-52-8
MDL Number
MFCD00214312
PubChem SID
180672841
PubChem CID
57516048

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD136641 Please log in.
Data Source Data ID
PubChem 57516048 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.6432548  H Acceptors
H Donor 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
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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