chempirical

Besifloxacin hydrochloride

C19H22Cl2FN3O3CAS 405165-61-9430.30 g/mol

Open in Covalent MOL file
NNH2ClNOOOHFHCl
Aryl halideCarboxylic acidPrimary amineTertiary amine

Properties

Molecular formula
C19H22Cl2FN3O3
Molar mass
430.30 g/mol
Exact mass
429.1022 Da
logP
3.57Crippen estimate
Polar surface area
88.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Hazards

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

Identifiers

CAS number
405165-61-9
SMILES
C1CCN(C[C@@H](C1)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F.Cl
InChIKey
PMQBICKXAAKXAY-HNCPQSOCSA-N
InChI
InChI=1S/C19H21ClFN3O3.ClH/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23;/h7,9-11H,1-6,8,22H2,(H,26,27);1H/t10-;/m1./s1

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Work with Besifloxacin hydrochloride

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

Similar compounds

Clinafloxacin105956-97-685 % similar 8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid101987-89-759 % similar Balofloxacin127294-70-655 % similar Sitafloxacin127254-12-054 % similar Sitafloxacin163253-35-854 % similar 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid94695-52-053 % similar Moxifloxacin hydrochloride186826-86-852 % similar 7-((4aS,7aS)-1,2,4a,5,7,7a-Hexahydropyrrolo(3,4-b)pyridin-6-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-3H-quinoline-3-carboxylic acid151213-15-952 % similar

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

Elsewhere

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