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Ipratropium bromide
SpectraBase Compound ID ChgmP9uUEVM
InChI InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18?,19?,21-;
InChIKey LHLMOSXCXGLMMN-NMPUHKKSSA-M
Mol Weight 412.37 g/mol
Molecular Formula C20H30BrNO3
Exact Mass 411.140907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75ldWTNRVV8
Name Ipratropium bromide
CAS Registry Number 22254-24-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30BrNO3
InChI InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18?,19?,21-;
InChIKey LHLMOSXCXGLMMN-NMPUHKKSSA-M
Molecular Weight 412.368 g/mol
SMILES [Br-].OCC(C(OC1C[C@]2([N@+]([C@@](C1)(CC2)[H])(C(C)C)C)[H])=O)c1ccccc1
SPLASH splash10-0gvo-9820000000-da357d303610b74a28b3
Source of Spectrum JZ-1992-2166-0
Synonyms (endo,syn)-(+-)-3-(3-Hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-8-azoniabicyclo(3.2.1)octane Ipratropium Bromide, (endo,anti)-Isomer
Wiley ID 1374053