Gemifloxacin mesylate

C19H24FN5O7SCAS 210353-53-0485.49 g/mol

Open in Covalent MOL file
ONNNFOOOHNH2NSOOHO
Aryl halideCarboxylic acidOximePrimary amineSulfonic acidTertiary amine

Properties

Molecular formula
C19H24FN5O7S
Molar mass
485.49 g/mol
Exact mass
485.1380 Da
logP
0.47Crippen estimate
Polar surface area
177.4 Ų
H-bond donors / acceptors
3 / 9
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
210353-53-0
SMILES
CO/N=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN.CS(=O)(=O)O
InChIKey
JIYMVSQRGZEYAX-CWUUNJJBNA-N
InChI
InChI=1/C18H20FN5O4.CH4O3S/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17;1-5(2,3)4/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27);1H3,(H,2,3,4)/b22-14+;

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Names and synonyms

6 names
  • 1,8-Naphthyridine-3-carboxylic acid, 7-[(4Z)-3-(aminomethyl)-4-(methoxyimino)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, monomethanesulfonate
  • SB 265805S
  • LB 20304a
  • Factive
  • Floxguard
  • Gemixa

Work with Gemifloxacin 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.

Methanesulfonic acid75-75-2Free acid Gemifloxacin175463-14-6Free base Dihydroergotamine mesylate6190-39-2Salt Doxazosin mesylate77883-43-3Salt Deferoxamine mesylate138-14-7Salt Benztropine mesylate132-17-2Salt Tricaine methanesulfonate886-86-2Salt Bromocriptine mesylate22260-51-1Salt Almitrine bismesylate29608-49-9Salt Gabexate mesilate56974-61-9Salt Imatinib mesylate220127-57-1Salt Phentolamine methanesulfonate65-28-1Salt

Similar compounds

7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid100361-18-048 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid112811-72-043 % similar Balofloxacin127294-70-642 % similar Tosufloxacin tosylate115964-29-941 % similar Moxifloxacin151096-09-241 % 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 acid268545-13-741 % similar Tosufloxacin100490-36-641 % similar Tosufloxacin108138-46-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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