Flutropium bromide

C₂₄H₂₉BrFNO₃CAS 63516-07-4478.40 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Ester Quaternary ammonium

Properties

Molecular formula: C₂₄H₂₉BrFNO₃
Molar mass: 478.40 g/mol
Exact mass: 477.1315 Da
Melting point: 192–193 °C (decomposes)
logP: 0.58Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 6
Stereocentres: R, S, rin SMILES atom order

Identifiers

CAS number

63516-07-4

SMILES

C[N+]1(CCF)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-]

InChIKey

FNUZASGZEHGWQM-XDKPLUGXNA-M

InChI

InChI=1/C24H29FNO3.BrH/c1-26(15-14-25)20-12-13-21(26)17-22(16-20)29-23(27)24(28,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,20-22,28H,12-17H2,1H3;1H/q+1;/p-1/t20-,21+,22+,26?;

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

8-Azoniabicyclo[3.2.1]octane, 8-(2-fluoroethyl)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-8-methyl-, bromide (1:1), (3-endo,8-syn)-
8-Azoniabicyclo[3.2.1]octane, 8-(2-fluoroethyl)-3-[(hydroxydiphenylacetyl)oxy]-8-methyl-, bromide, (endo,syn)-
8-Azoniabicyclo[3.2.1]octane, 8-(2-fluoroethyl)-3-[(hydroxydiphenylacetyl)oxy]-8-methyl-, bromide, (3-endo,8-syn)-
Ba 598br
Flubron

Work with Flutropium bromide

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

Trospium chloride10405-02-460 % similar Clidinium bromide3485-62-955 % similar Diethylaminoethyl diphenylglycolate methobromide3166-62-948 % similar Erythro-glycopyrronium bromide51186-83-544 % similar Glycopyrrolate596-51-044 % similar Homatropine methobromide80-49-943 % similar Ethyl benzilate52182-15-742 % similar Atropine methyl bromide2870-71-542 % similar

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

Elsewhere

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