7-(3-Aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid--water (1/1)

HCID 44154493CAS 107097-79-0

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Basic information

Standard SMILES
NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1.O
InChIKey
FCHGAGZTPICOSW-UHFFFAOYSA-N
Molecular formula
C19H17F3N4O4
Average molar mass
422.363 g/mol
Monoisotopic mass
422.12018968

Names & identifiers

Preferred name
7-(3-Aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid--water (1/1)
IUPAC
7-(3-Aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid--water (1/1)
English name
Tosufloxacin tosilate
Molecular formula
C19H17F3N4O4
Molecular weight
422.36

Names & synonyms

Tosufloxacin tosilate hydrateUnii-6239812J7lTosufloxacin hydrateTOSUFLOXACIN TOSILATE6-O-PentagalloylglucoseTosufloxacin Tosilate RSTosufloxacin monohydratePenta-O-galloyl-β-D-glucoseTosufloxacin Tosylate Monohydrate6-Penta-O-galloyl-beta-D-glucopyranose

Database identifiers

CAS
107097-79-0
PubChem CID
44154493
DTXSID
DTXSID80910234
UNII
6239812J7L

Properties

Physicochemical properties

Melting point
254 ℃ · approximate 254℃ (dec.)
InChI
InChI=1S/C19H15F3N4O3.H2O/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25;/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29);1H2
InChIKey
FCHGAGZTPICOSW-UHFFFAOYSA-N
SMILES
O=C1C(=CN(C2C=CC(F)=CC=2F)C2=NC(N3CCC(N)C3)=C(F)C=C12)C(=O)O.O
CAS DataBase Reference
107097 · 107097-79-0(CAS DataBase Reference)
FDA UNII
6239812 J7L · 6239812J7L

Chemistry & industry

Applications

UsesTosufloxacin (A-61827) tosylate is an orally active fluoroquinolone antibiotic. Tosufloxacin tosylate shows a broad spectrum of antibacterial activity against gram-positive and gram-negative bacteria[1][2].

Suppliers50 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Additional notes · 1 item

DefinitionChEBI: Tosufloxacin tosylate hydrate is a racemate comprising equimolar amounts of (R)- and (S)-tosufloxacin tosylate hydrate. It has a role as an antimicrobial agent, an antiinfective agent, a DNA synthesis inhibitor, a hepatotoxic agent and a topoisomerase IV inhibitor. It contains a (S)-tosufloxacin tosylate hydrate, a (R)-tosufloxacin tosylate hydrate and a tosufloxacin tosylate.

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