Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
Information
Trazodone Trazodone (AF-1161) is a 5-HT 2A/2C receptor antagonist that is used as an antidepressant for treating major depressive disorder and anxiety disorders.
| Pubchem Sid | 504750907 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504750907 |
| Canonical Smiles | C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl |
| IUPAC Name | 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one |
| InChIKey | PHLBKPHSAVXXEF-UHFFFAOYSA-N |
| INCHI | 1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2 |
| Isomeric SMILES | C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl |
| PubChem CID | 5533 |
| Molecular Weight | 371.87 |
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 | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Aryl 1,2,4-triazolones Triazolopyridines Aniline and substituted anilines Dialkylarylamines Pyridinones Chlorobenzenes N-alkylpiperazines Aryl chlorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organooxygen compounds Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Aryl 1,2,4-triazol-3-one - Triazolopyridine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Pyridinone - Chlorobenzene - N-alkylpiperazine - Halobenzene - Aryl chloride - Aryl halide - Pyridine - Monocyclic benzene moiety - Benzenoid - 1,2,4-triazole - Azole - Heteroaromatic compound - Triazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | N-arylpiperazine - monochlorobenzenes - N-alkylpiperazine - triazolopyridine |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Dec 29, 2025 | T413353 | |
| Certificate of Analysis | Dec 09, 2025 | T413353 | |
| Certificate of Analysis | May 09, 2025 | T413353 | |
| Certificate of Analysis | May 09, 2025 | T413353 | |
| Certificate of Analysis | May 09, 2025 | T413353 | |
| Certificate of Analysis | May 09, 2025 | T413353 |
| Solubility | Solubility (25°C) In vitro DMSO: 45 mg/mL (121.01 mM); Ethanol: 17 mg/mL (45.71 mM); Water: Insoluble; |
|---|---|
| Molecular Weight | 371.900 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 371.151 Da |
| Monoisotopic Mass | 371.151 Da |
| Topological Polar Surface Area | 42.400 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 611.000 |
| 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. Fengying Dai, Kepeng Lv, Bo Zhang, Junqiang Zhao, Shaoteng Wang, Ke Lan, Yiping Zhao, Xiaolei Zhang, Bohong Kan. (2023) Overcoming the structure deficiency of nanodrug coated with tannic acid shell through phenolic hydroxyl protection strategy for Alzheimer's disease combination treatment. Biomaterials Advances, [PMID:37827021] [10.1016/j.bioadv.2023.213651] |
| 2. Moying Yang, Yan Yao, Haotian Shen, Fei Teng, Yunuo Liu, Yuyang Ma, Bin Di, Mengxiang Su. (2025) Detection of antidepressants in wastewater from four provinces of China by UPLC-MS/MS to assess the regional prevalence of depression. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2025.114446] |
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