Basic information
- CAS
10457-90-6- Standard SMILES
O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1- InChIKey
RKLNONIVDFXQRX-UHFFFAOYSA-N- Molecular formula
- C21H23BrFNO2
- Average molar mass
- 420.3 g/mol
- Monoisotopic mass
- 419.08962
Overview
Bromperidol is an aromatic ketone.
Names & identifiers
- Preferred name
- Bromperidol
- IUPAC
- 4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
- English name
- BROMPERIDOL
- Molecular formula
- C21H23BrFNO2
- Molecular weight
- 420.32
Names & synonyms
bromperidol10457-90-6ImpromenBromoperidol4-(4-(4-bromophenyl)-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-oneBromperidolum4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-oneDTXSID0022690LYH6F7I22ENSC-759275R-113334-(4-(p-Bromophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone
Show more names
AzuroneR 11333AzureneTesoprelBromperidoPrestwick_781Bromperidol CRS
4-(4-(4-Bromophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenoneR 11,3331-Butanone, 4-(4-(4-bromophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-DTXCID1026901-Butanone, 4-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-bromperidoloRefChem:570410N05AD06
Database identifiers
- CAS
10457-90-6- PubChem CID
- 2448
- DTXSID
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 451
Experimental & physicochemical properties
Drugs
Pharmaceuticals -> Nervous system -> Antipsychotics
Pharmaceuticals -> Listed in ZINC15
Human DrugsPharmaceuticals
Collision Cross Section
194.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
194.17 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 156 · 156-158°C
- Boiling point
- 215.2 °C · 215.2°C (rough estimate)
- Density
- 1.3109 · 1.3109 (estimate)
- storage temp.
- Refrigerator
- solubility
- 2 O: · H2O: insoluble
- pka
- 8.6 · 8.6-8.7(at 25℃)
- form
- solid
- color
- white
- Major Application
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P301+P317, P304+P340, P317, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- EU1180000
- Toxicity
- mouse,LD50,intraperitoneal,156mg/kg (156mg/kg),Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 1461, 1985.
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Pharmacology
ATC Code
N05AD06
N - Nervous system
QN - Nervous system
Metabolism/MetabolitesBromperidol has known human metabolites that include 4-(4-Bromophenyl)piperidin-4-ol and 4'-Fluorobutyrophenone.
MeSH Pharmacological Classification
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.
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesBromine analog of Haloperidol. Antipsychotic
Usesanalgesic, antiinflammatory
Suppliers59 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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