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Xenytropium
SpectraBase Compound ID 16YXmIhc6a5
InChI InChI=1S/C30H34NO3.BrH/c1-31(20-22-12-14-24(15-13-22)23-8-4-2-5-9-23)26-16-17-27(31)19-28(18-26)34-30(33)29(21-32)25-10-6-3-7-11-25;/h2-15,26-29,32H,16-21H2,1H3;1H/q+1;/p-1/t26-,27+,28?,29?,31-;
InChIKey KDXSSNBFSJKQMR-XBBANMCESA-M
Mol Weight 536.5 g/mol
Molecular Formula C30H34BrNO3
Exact Mass 535.172207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FGjmrbHSjk
Name Xenytropium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H34BrNO3
InChI InChI=1S/C30H34NO3.BrH/c1-31(20-22-12-14-24(15-13-22)23-8-4-2-5-9-23)26-16-17-27(31)19-28(18-26)34-30(33)29(21-32)25-10-6-3-7-11-25;/h2-15,26-29,32H,16-21H2,1H3;1H/q+1;/p-1/t26-,27+,28?,29?,31-;
InChIKey KDXSSNBFSJKQMR-XBBANMCESA-M
Molecular Weight 536.510 g/mol
SMILES [Br-].OCC(C(OC1C[C@]2([N@+]([C@@](C1)(CC2)[H])(Cc1ccc(-c2ccccc2)cc1)C)[H])=O)c1ccccc1
SPLASH splash10-01b9-1900000000-bc01200776a254fc5502
Source of Spectrum CJ-0-15-3532
Synonyms 3-Hydroxy-2-phenyl-propionic acid[8-methyl-8-(4-phenylbenzyl)-8-azoniabicyclo[3.2.1]octan-3-yl]ester bromide 3-Hydroxy-2-phenylpropanoic acid[8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl]ester bromide 8-([1,1'-biphenyl]-4-ylmethyl)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azoniabicyclo[3.2.1]octane bromide N-(4,4'-Biphenylmethyl)atropium bromide [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl]3-hydroxy-2-phenyl-propanoate bromide [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl]3-oxidanyl-2-phenyl-propanoate bromide 3-Hydroxy-2-phenylpropanoic acid [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] ester;bromide [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;bromide [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate;bromide [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate;bromide
Wiley ID 1403962