Molecular Identity
Iloperidone
1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
PubChem CID: 71360
Iloperidone is a member of the class of piperidines that is the 4-acetyl-2-methoxyphenyl ether of 3-(piperidin-1-yl)propan-1-ol which is substituted at position 4 of the piperidine ring by a 6-fluoro-1,2-benzoxazol-3-yl group. A member of the group of second generation antipsychotics (also known as an atypical antipsychotics), it is used for the treatment of schizophrenia. It has a role as a serotonergic antagonist, a dopaminergic antagonist and a second generation antipsychotic. It is a member of piperidines, an aromatic ether, an organofluorine compound, a tertiary amino compound, a member of 1,2-benzoxazoles, a methyl ketone, a monoamine and an aromatic ketone.
2D Structure
Properties
C24H27FN2O4
Molecular Formula
426.50
Molecular Weight
g/mol
426.1955
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
64.8
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
7
H-Bond Acceptors
586
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Iloperidone133454-47-4FanaptZomarilHP 873HP-873iloperidona1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanoneiloperidonum4'-(3-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidino)propoxy)-3'-methoxyacetophenoneVPO7KJ050NDTXSID6049060Ethanone, 1-(4-(3-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)propoxy)-3-methoxyphenyl)-DTXCID7028986CHEBI:65173
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Iloperidone
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