Basic information
- CAS
57648-21-2- Standard SMILES
O=C(CCCN1CCC(n2c(=S)[nH]c3ccccc32)CC1)c1ccc(F)cc1- InChIKey
YDLQKLWVKKFPII-UHFFFAOYSA-N- Molecular formula
- C22H24FN3OS
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.16241173
Overview
Timiperone is an aromatic ketone.
Names & identifiers
- Preferred name
- Timiperone
- IUPAC
- 1-(4-fluorophenyl)-4-[4-(2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]butan-1-one
- English name
- Timiperone
- Molecular formula
- C22H24FN3OS
- Molecular weight
- 397.51
Names & synonyms
timiperone57648-21-2TolopelonTimiperonaTimiperonumDD-3480DTXSID9023673626DQ7N19LDTXCID8036734'-Fluoro-4-(4-(2-thioxo-1-benzimidazolinyl)piperidino)butyrophenone1-Butanone, 4-(4-(2,3-dihydro-2-thioxo-1H-benzimidazol-1-yl)-1-piperidinyl)-1-(4-fluorophenyl)-4-(4-(2,3-Dihydro-2-thioxo-1H-benzimidazol-1-yl)-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone
Show more names
DTTBTimeperoneTimiperone USP/EP/BPTRIFLUOROMETHYLBENZIMIDAZOLE1-[1-[3-(p-Fluorobenzoyl)propyl]-4-piperidyl]-1H-benzimidazole-2(3H)-thione1-[1-[3-(4-Fluorobenzoyl)propyl]-4-piperidyl]-1H-benzimidazole-2(3H)-thione4'-Fluoro-γ-[4-(2,3-dihydro-2-thioxo-1H-benzimidazol-1-yl)piperidino]butyrophenone4-[4-(2,3-Dihydro-2-thioxo-1H-benziMidazol-1-yl)-1-piperidinyl]-1-(4-fluorophenyl)-
1-Butanone, 4-[4-(2,3-dihydro-2-thioxo-1H-benzimidazol-1-yl)-1-piperidinyl]-1-(4-fluorophenyl)-RefChem:190033SID144207177260-880-91-(1-(3-(p-Fluorobenzoyl)propyl)-4-piperidyl)-2-benzimidazolinethione1-(4-fluorophenyl)-4-[4-(2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]butan-1-oneTimiperone (JAN)TIMIPERONE [JAN]
Database identifiers
- CAS
57648-21-2- PubChem CID
- 3033151
- DTXSID
DTXSID9023673- ChEMBL
CHEMBL2107117- ChEBI
CHEBI:135631- UNII
- 626DQ7N19L
- EC Number
- 260-880-9
- Nikkaji
- J3.521A
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 558
Experimental & physicochemical properties
DrugsPharmaceuticals -> Nervous system -> Antipsychotics
Physicochemical properties
- Melting point
- 201 · 201-203 ºC
- Density
- 1.31 · 1.31
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Beige
- FDA UNII
- 626 DQ7N19L · 626DQ7N19L
- Toxicity
- 50 in · LD50 in male rats, mice (mg/kg): 232, 478 orally (Yamasaki)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 in male rats, mice (mg/kg): 232, 478 orally (Yamasaki)
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs used to prevent NAUSEA or VOMITING.
Agents that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. They are used in SCHIZOPHRENIA; senile dementia; transient psychosis following surgery; or MYOCARDIAL INFARCTION; etc. These drugs are often referred to as neuroleptics alluding to the tendency to produce neurological side effects, but not all antipsychotics are likely to produce such effects. Many of these drugs may also be effective against nausea, emesis, and pruritus.
Applications
DescriptionTimiperone is a butyrophenone neuroleptic agent closely related to benperidol.
UsesButyrophenone derivative having neuroleptic activity, used as an antipsychotic.
Suppliers17 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
武汉睿立达生物医药科技有限公司18201884268 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
广州优南科技有限公司020-82000279 18988941452 · [email protected]
Additional notes
DefinitionChEBI: Timiperone is an aromatic ketone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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