iloperidone   Click here for help

GtoPdb Ligand ID: 87

Synonyms: Fanapt® | HP-873
Approved drug
iloperidone is an approved drug (FDA (2009))
Compound class: Synthetic organic
Comment: Iloperidone is an atypical antipsychotic drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 64.8
Molecular weight 426.2
XLogP 4.11
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C
Isomeric SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C
InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
InChI Key XMXHEBAFVSFQEX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2009))
IUPAC Name Click here for help
1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
International Nonproprietary Names Click here for help
INN number INN
7045 iloperidone
Synonyms Click here for help
Fanapt® | HP-873
Database Links Click here for help
BindingDB Ligand 50034043
CAS Registry No. 133454-47-4 (source: Scifinder)
ChEBI CHEBI:65173
ChEMBL Ligand CHEMBL14376
DrugBank Ligand DB04946
DrugCentral Ligand 3294
GtoPdb PubChem SID 135650377
PubChem CID 71360
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Wikipedia Iloperidone