fluspirilene   

GtoPdb Ligand ID: 85

Synonyms: Imap® | MCN-JR-6218 | R-6218 | Redeptin®
fluspirilene is an approved drug
Compound class: Synthetic organic
Comment: Fluspirilene is a long-acting typical antipsychotic drug.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 35.58
Molecular weight 475.24
XLogP 6.21
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1
Isomeric SMILES Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1
InChI InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)
InChI Key QOYHHIBFXOOADH-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
International Nonproprietary Names
INN number INN
1801 fluspirilene
Synonyms
Imap® | MCN-JR-6218 | R-6218 | Redeptin®
Database Links
BindingDB Ligand 26948
CAS Registry No. 1841-19-6
ChEMBL Ligand CHEMBL46516
DrugBank Ligand DB04842
DrugCentral Ligand 1222
GtoPdb PubChem SID 135650278
PubChem CID 3396
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Wikipedia Fluspirilene