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8PR

Summary
Name:Paroxetine
Synonyms:(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine
Formula:C19 H20 F N O3
Formal charge:0
Formula weight:329.365 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine
OpenEye OEToolkits1.7.2(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1ccc(cc1)C2CCNCC2COc3ccc4OCOc4c3
InChIInChI1.03InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
InChIKeyInChI1.03AHOUBRCZNHFOSL-YOEHRIQHSA-N
SMILES_CANONICALCACTVS3.370Fc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4OCOc4c3
SMILESCACTVS3.370Fc1ccc(cc1)[CH]2CCNC[CH]2COc3ccc4OCOc4c3
SMILES_CANONICALOpenEye OEToolkits1.7.2c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F
SMILESOpenEye OEToolkits1.7.2c1cc(ccc1C2CCNCC2COc3ccc4c(c3)OCO4)F

218500

PDB entries from 2024-04-17

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