Erythro-glycopyrronium bromide

C₁₉H₂₈BrNO₃CAS 51186-83-5398.34 g/mol

Open in Covalent MOL file

Alcohol Ester Quaternary ammonium

Properties

Molecular formula: C₁₉H₂₈BrNO₃
Molar mass: 398.34 g/mol
Exact mass: 397.1253 Da
Melting point: 175 °C
logP: -0.54Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4
Stereocentres: S, Rin SMILES atom order

Identifiers

CAS number

51186-83-5

SMILES

C[N+]1(C)CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1.[Br-]

InChIKey

VPNYRYCIDCJBOM-HPUDQCTANA-M

InChI

InChI=1/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1/t17-,19-;/s2

Weigh it out

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Names and synonyms

5 names

Pyrrolidinium, 3-[[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]oxy]-1,1-dimethyl-, bromide (1:1), (3S)-rel-
Pyrrolidinium, 3-[(cyclopentylhydroxyphenylacetyl)oxy]-1,1-dimethyl-, bromide, (R*,S*)-(±)-
Pyrrolidinium, 3-[[(2R)-cyclopentylhydroxyphenylacetyl]oxy]-1,1-dimethyl-, bromide, (3S)-rel-
Ritropirronium bromide
Erythro-3-Hydroxy-1,1-dimethylpyrrolidinium bromide α-cyclopentylmandelate

Work with Erythro-glycopyrronium 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

Methyl α-cyclopentyl-α-hydroxybenzeneacetate19833-96-658 % similar 1-Methyl-3-pyrrolidinyl α-cyclopentyl-α-hydroxybenzeneacetate13118-11-157 % similar Methyl α-cyclohexyl-α-hydroxybenzeneacetate10399-13-057 % similar α-Cyclopentylmandelic acid427-49-652 % similar (±)-Cyclohexylphenylglycolic acid4335-77-751 % similar Clidinium bromide3485-62-946 % similar Oxybutynin5633-20-545 % similar Flutropium bromide63516-07-444 % similar

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

Same formula

Glycopyrrolate596-51-0

Elsewhere

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