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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 3.3 |
|---|
| Pubchem Sid | 504750760 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504750760 |
| Canonical Smiles | CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4 |
| IUPAC Name | 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene |
| InChIKey | RONZAEMNMFQXRA-UHFFFAOYSA-N |
| INCHI | 1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3 |
| Isomeric SMILES | CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4 |
| Alternate CAS | 85650-52-8 |
| Molecular Weight | 265.35 |
| Reaxy-Rn | 549345 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=549345&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 | Organoheterocyclic compounds |
| Class | Piperazinoazepines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Piperazinoazepines |
| Alternative Parents | Benzazepines Dialkylarylamines N-methylpiperazines Azepines Aralkylamines Pyridines and derivatives Imidolactams Benzenoids Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzazepine - Piperazino-azepine - Dialkylarylamine - Azepine - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Imidolactam - Benzenoid - Pyridine - Piperazine - 1,4-diazinane - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as piperazinoazepines. These are compounds containing a piperazinoazepine skeleton, which consists of an azepine ring fused to a piperazine. |
| External Descriptors | benzazepine - tetracyclic antidepressant |
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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 | Aug 12, 2025 | M304141 | |
| Certificate of Analysis | Aug 12, 2025 | M304141 | |
| Certificate of Analysis | Aug 12, 2025 | M304141 | |
| Certificate of Analysis | Aug 12, 2025 | M304141 | |
| Certificate of Analysis | Jul 11, 2024 | M304141 | |
| Certificate of Analysis | Jul 11, 2024 | M304141 | |
| Certificate of Analysis | Jul 11, 2024 | M304141 | |
| Certificate of Analysis | Jul 11, 2024 | M304141 |
| Flash Point(°C) | 9.7 °C |
|---|---|
| Molecular Weight | 265.350 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 265.158 Da |
| Monoisotopic Mass | 265.158 Da |
| Topological Polar Surface Area | 19.400 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 345.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Rongzhe Zhu, Xiaochen Liu, Qiupeng Xue, Xiaoru Dong, Tianyi Zhang, Yan Jiang. (2022) Ethanol potentiates mirtazapine-induced cardiotoxicity by inducing dysfunctional autophagy via HMGB1-dependent Akt/mTOR signaling pathway. TOXICOLOGY LETTERS, [PMID:35066094] [10.1016/j.toxlet.2022.01.008] |
| 2. Danyi Lu, Dong Dong, Baojian Wu. (2018) Highly selective N-glucuronidation of four piperazine-containing drugs by UDP-glucuronosyltransferase 2B10. Expert Opinion on Drug Metabolism & Toxicology, [PMID:30049229] [10.1080/17425255.2018.1505862] |
| 3. Danyi Lu, Qian Xie, Baojian Wu. (2017) N-glucuronidation catalyzed by UGT1A4 and UGT2B10 in human liver microsomes: Assay optimization and substrate identification. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, [PMID:28803208] [10.1016/j.jpba.2017.07.037] |
| 4. Xiujuan Chen, Shuiqing Zheng, Jian Le, Zheyuan Qian, Runsheng Zhang, Zhanying Hong, Yifeng Chai. (2017) Ultrasound-assisted low-density solvent dispersive liquid–liquid microextraction for the simultaneous determination of 12 new antidepressants and 2 antipsychotics in whole blood by gas chromatography–mass spectrometry. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, [PMID:28494335] [10.1016/j.jpba.2017.04.032] |
| 5. 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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