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O-Desmethyl Astemizole

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For Research Use Only | Not For Clinical Use
CATAPS73736502
CAS73736-50-2
Structure
SynonymsDesmethyl Astemizole Hydrochloride
IUPAC Name4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]phenol;hydrochloride
Molecular Weight481.00
Molecular FormulaC27H29FN4O.ClH
Canonical SMILESCl.Oc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1
InChIInChI=1S/C27H29FN4O/c28-22-9-5-21(6-10-22)19-32-26-4-2-1-3-25(26)30-27(32)29-23-14-17-31(18-15-23)16-13-20-7-11-24(33)12-8-20/h1-12,23,33H,13-19H2,(H,29,30)
Accurate Mass480.2092
FormatNeat
SubcategoryAntihistamines
TypeMetabolite
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