Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Droperidol is a potent antagonist of dopamine subtype 2 receptors in the limbic system.
A D1DR and D2DR inhibitor.
| ALogP | 3.5 |
|---|
| Canonical Smiles | C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F |
|---|---|
| IUPAC Name | 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one |
| InChIKey | RMEDXOLNCUSCGS-UHFFFAOYSA-N |
| INCHI | 1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28) |
| Isomeric SMILES | C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F |
| WGK Germany | 3 |
| RTECS | DE2100000 |
| Molecular Weight | 379.43 |
| Reaxy-Rn | 579168 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=579168&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Phenylbutylamines Butyrophenones Benzimidazoles Aryl alkyl ketones Benzoyl derivatives Fluorobenzenes Aryl fluorides N-substituted imidazoles Hydropyridines Gamma-amino ketones Heteroaromatic compounds Ureas Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alkyl-phenylketone - Phenylbutylamine - Butyrophenone - Benzimidazole - Benzoyl - Aryl alkyl ketone - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Benzenoid - N-substituted imidazole - Gamma-aminoketone - Azole - Heteroaromatic compound - Imidazole - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | organofluorine compound - aromatic ketone - benzimidazoles |
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| Melt Point(°C) | 148-149°C |
|---|---|
| Molecular Weight | 379.400 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 379.17 Da |
| Monoisotopic Mass | 379.17 Da |
| Topological Polar Surface Area | 52.700 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 615.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Linlin Chen, Xiaofei Hu, Yunrui Xing, Yaning Sun, Mei Hu, Gaiping Zhang. (2022) Highly sensitive immunochromatographic assay for simultaneous determination of azaperone and azaperol in pork. Food Chemistry-X, [PMID:36478711] [10.1016/j.fochx.2022.100525] |
| 2. Longgang Jia, Wenjuan Wang, Yushan Yan, Rui Hu, Jingcheng Sang, Wenping Zhao, Ying Wang, Wei Wei, Wei Cui, Guoqiang Yang, Fuping Lu, Jie Zheng, Fufeng Liu. (2020) General Aggregation-Induced Emission Probes for Amyloid Inhibitors with Dual Inhibition Capacity against Amyloid β-Protein and α-Synuclein. ACS Applied Materials & Interfaces, [PMID:32584021] [10.1021/acsami.0c07745] |
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