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Carebastine
SpectraBase Compound ID FdezyM9FJzZ
InChI InChI=1S/C32H37NO4/c1-32(2,31(35)36)27-17-15-24(16-18-27)29(34)14-9-21-33-22-19-28(20-23-33)37-30(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-13,15-18,28,30H,9,14,19-23H2,1-2H3,(H,35,36)
InChIKey XGHOVGYJHWQGCC-UHFFFAOYSA-N
Mol Weight 499.7 g/mol
Molecular Formula C32H37NO4
Exact Mass 499.272259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZDxguTPvky
Name Carebastine
Alternate Name(s) 2-[4-[4-(4-benzhydryloxy-1-piperidyl)butanoyl]phenyl]-2-methyl-propanoic acid 2-[4-[4-(4-benzhydryloxypiperidin-1-ium-1-yl)butanoyl]phenyl]-2-methyl-propanoate 2-[4-[4-(4-benzhydryloxypiperidin-1-ium-1-yl)butanoyl]phenyl]-2-methyl-propionate 2-[4-[4-(4-benzhydryloxypiperidin-1-yl)butanoyl]phenyl]-2-methylpropanoic acid 2-[4-[4-(4-benzhydryloxypiperidino)butanoyl]phenyl]-2-methyl-propionic acid 2-[4-[4-[4-(diphenylmethyl)oxy-1-piperidin-1-iumyl]-1-oxobutyl]phenyl]-2-methylpropanoate 2-[4-[4-[4-(diphenylmethyl)oxy-1-piperidinyl]-1-oxobutyl]phenyl]-2-methylpropanoic acid 2-[4-[4-[4-(diphenylmethyl)oxypiperidin-1-ium-1-yl]butanoyl]phenyl]-2-methyl-propanoate 2-[4-[4-[4-(diphenylmethyl)oxypiperidin-1-yl]butanoyl]phenyl]-2-methyl-propanoic acid
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Formula C32H37NO4
InChI InChI=1S/C32H37NO4/c1-32(2,31(35)36)27-17-15-24(16-18-27)29(34)14-9-21-33-22-19-28(20-23-33)37-30(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-13,15-18,28,30H,9,14,19-23H2,1-2H3,(H,35,36)
InChIKey XGHOVGYJHWQGCC-UHFFFAOYSA-N
Molecular Weight 499.651 g/mol
SMILES OC(C(c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1)(C)C)=O
SPLASH splash10-0159-0940000000-d7aba13b9ebfd0fc2083
Source of Spectrum KO-23-387-2
Wiley ID 747154