Pimozide
Pimozide Structure
Systematic / IUPAC Name: 3-{1-[4,4-Bis(4-Fluorophenyl)butyl]piperidin-4-yl}-1H-benzimidazol-2-one
ID: Reference2384
Other Names:
Opiran;
Neoperidole;
Pimozidum;
1-{1-[4,4-Bis(4-fluorophenyl)butyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one;
1-{1-[4,4-Bis(4-fluorophenyl)butyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one
; more
Formula: C28H29F2N3O
Class: Therapeutics/Prescription Drugs Sports Doping Drugs
Spectral Data
Pimozide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 45 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/6/2015 9:43:14 AM |
Identificators
| InChI | InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34) |
| InChI Key | YVUQSNJEYSNKRX-UHFFFAOYSA-N |
| Canonical SMILES | C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F |
| CAS | 2062784 |
| Splash | |
| Other Names |
Opiran; Neoperidole; Pimozidum; 1-{1-[4,4-Bis(4-fluorophenyl)butyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one; 1-{1-[4,4-Bis(4-fluorophenyl)butyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; 2H-Benzimidazol-2-one, 1-{1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidinyl}-1,3-dihydro-; 1-{1-[4,4-Bis(p-fluorophenyl)butyl]-4-piperidyl}-2-benzimidazolinone; 1-{1-[4,4-Bis(p-fluorophenyl)butyl]-4-piperidyl}-2-benzimidazolinone; 1-{4,4-Bis(p-fluorophenyl)butyl}-4-(2-oxo-1-benzimidazolinyl)piperidine; 2H-Benzimidazol-2-one, 1-{1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidinyl}-1,3-dihydro-; 1-{1-[4,4-Bis(4-fluorophenyl)butyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one; 2-Benzimidazolinone, 1-{1-[4,4-bis(p-fluorophenyl)butyl]-4-piperidyl}- |
In Other Databases
| ChemIDPlus | 002062784 |
| HMDb | HMDB15232 |
| KEGG | C07566; D00560 |
| ChEMBL | CHEMBL1423 |
| ChemSpider | 15520 |
| ChEBI | CHEBI:8212 |
| PubChem | 16362 |
| DrugBank | DB01100 |
| Wikipedia | Pimozide |