chempirical

Gatifloxacin mesylate

C20H26FN3O7SCAS 316819-28-0471.50 g/mol

Open in Covalent MOL file
NHNONOOOHFSOOOH
Aryl halideCarboxylic acidEtherSecondary amineSulfonic acidTertiary amine

Properties

Molecular formula
C20H26FN3O7S
Molar mass
471.50 g/mol
Exact mass
471.1475 Da
logP
1.48Crippen estimate
Polar surface area
138.2 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
4

Identifiers

CAS number
316819-28-0
SMILES
CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F.CS(=O)(=O)O
InChIKey
PMMNVFFMFJMFDB-UHFFFAOYSA-N
InChI
InChI=1S/C19H22FN3O4.CH4O3S/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26;1-5(2,3)4/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26);1H3,(H,2,3,4)

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Work with Gatifloxacin mesylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Gatifloxacin sesquihydrate180200-66-2Hydrate Methanesulfonic acid75-75-2Free acid Gatifloxacin160738-57-8Free base Gatifloxacin112811-59-3Free base Dihydroergotamine mesylate6190-39-2Salt Doxazosin mesylate77883-43-3Salt Benztropine mesylate132-17-2Salt Bromocriptine mesylate22260-51-1Salt Deferoxamine mesylate138-14-7Salt Tricaine methanesulfonate886-86-2Salt Almitrine bismesylate29608-49-9Salt Gabexate mesilate56974-61-9Salt

Similar compounds

Moxifloxacin151096-09-266 % similar 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4ar,7ar)-octahydro-6H-pyrrolo[3,4-B]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid268545-13-766 % similar Balofloxacin127294-70-665 % similar Moxifloxacin hydrochloride186826-86-864 % similar Lomefloxacin98079-51-757 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid112811-72-057 % similar Lomefloxacin hydrochloride98079-52-855 % similar N-Desmethyl levofloxacin117707-40-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook