paliperidone   Click here for help

GtoPdb Ligand ID: 7258

Synonyms: 9-hydroxyrisperidone | Invega® | Ro-76477 | Ro-92670
Approved drug
paliperidone is an approved drug (FDA (2006), EMA (2007))
Compound class: Synthetic organic
Comment: Paliperidone is an atypical antipsychotic. Mechanistically it is a dopamine receptor and 5-HT2A receptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 84.39
Molecular weight 426.21
XLogP 2.96
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2O
Isomeric SMILES Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2O
InChI InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3
InChI Key PMXMIIMHBWHSKN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2006), EMA (2007))
Prodrug risperidone
IUPAC Name Click here for help
3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
International Nonproprietary Names Click here for help
INN number INN
7977 paliperidone
Synonyms Click here for help
9-hydroxyrisperidone | Invega® | Ro-76477 | Ro-92670
Database Links Click here for help
CAS Registry No. 144598-75-4
ChEMBL Ligand CHEMBL1621
DrugBank Ligand DB01267
DrugCentral Ligand 4137
GtoPdb PubChem SID 178103832
PubChem CID 115237
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Wikipedia Paliperidone

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Tocris
Paliperidone
Cat. No. 4493