IUPAC Name: | 2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine;4-nitrobenzoic acid |
Description: | 2-[(4-Chlorophenyl)(4-piperidyloxy)methyl]pyridine 4-Nitrobenzoate (CAS# 161558-45-8) is an intermediate in the synthesis of Bepotastine besylate (B317000), a non-sedating H1-antagonist that has anti-inflammatory activity. |
Molecular Weight: | 469.92 |
Molecular Formula: | C24H24ClN3O5 |
Canonical SMILES: | C1CNCCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C17H19ClN2O.C7H5NO4/c18-14-6-4-13(5-7-14)17(16-3-1-2-10-20-16)21-15-8-11-19-12-9-15;9-7(10)5-1-3-6(4-2-5)8(11)12/h1-7,10,15,17,19H,8-9,11-12H2;1-4H,(H,9,10) |
InChI Key: | UQSUJCNJGVBZCU-UHFFFAOYSA-N |
LogP: | 5.73800 |
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Related Functional Groups
Piperidines
Ethyl 1-(4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)piperidine-3-carboxylate
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