Determine the necessary mass, volume, or concentration for preparing a solution.
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モリガンド™, ≥98 Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
20℃で保存、アルゴン充填 Ships アイスチェスト+アイスパッド 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
応用例
Naltrexoneはオピオイド拮抗薬であり、過食、喫煙、過度の飲酒などの嗜癖行動の発生を抑制することが示されている。薬物使用を抑制するだけでなく、最近では風味回避研究にも用いられている。
ナルトレキソンはオピオイド受容体拮抗薬であり、主にアルコール依存症やオピオイド依存症の治療に用いられる。Naltrexoneは、μ、κ、δ、σ-オピオイド受容体に対して競合的な拮抗薬であり、経口投与でより高い効果を示す。
| ALogP | 1.9 |
|---|
| パブケム・シド | 504763704 |
|---|---|
| パブケム・シド・ウル | https://pubchem.ncbi.nlm.nih.gov/substance/504763704 |
| カノニカル・スマイル | C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O |
| IUPAC Name | (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one |
| InChIKey | DQCKKXVULJGBQN-XFWGSAIBSA-N |
| INCHI | 1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1 |
| 異性体SMILES | C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O |
| WGKドイツ | 1 |
| 分子量 | 341.4 |
| Reaxy-Rn | 628540 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=628540&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 | Benzenoids |
| 分類 | Phenanthrenes and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenanthrenes and derivatives |
| Alternative Parents | Isoquinolones and derivatives Tetralins Coumarans 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Piperidines Tertiary alcohols Trialkylamines 1,2-aminoalcohols Ketones Cyclic alcohols and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenanthrene - Isoquinolone - Tetralin - Coumaran - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Aralkylamine - Piperidine - Cyclic alcohol - Tertiary alcohol - 1,2-aminoalcohol - Ketone - Tertiary aliphatic amine - Tertiary amine - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organooxygen compound - Alcohol - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene. |
| External Descriptors | organic heteropentacyclic compound - cyclopropanes - morphinane-like compound |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 日付 | 商品 |
|---|---|---|---|
| Certificate of Analysis | Sep 01, 2026 | N125357 | |
| Certificate of Analysis | Sep 01, 2026 | N125357 | |
| Certificate of Analysis | Sep 01, 2026 | N125357 | |
| Certificate of Analysis | Sep 01, 2026 | N125357 | |
| Certificate of Analysis | Sep 01, 2026 | N125357 |
| 溶解度 | Chloroform (Slightly), Methanol (Slightly) |
|---|---|
| 融点(°C) | 168-172°C |
| 分子量 | 341.400 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 341.163 Da |
| Monoisotopic Mass | 341.163 Da |
| Topological Polar Surface Area | 70.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 621.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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. Wang Xiaoqiang, Zhang Ruirui, Wu Tong, Shi Yumiao, Zhou Xiao, Tang Dan, Yu Weifeng, So Edmund Cheung, Wu Xiaodan, Pan Zhiying, Tian Jie. (2021) Successive treatment with naltrexone induces epithelial–mesenchymal transition and facilitates the malignant biological behaviors of bladder cancer cells. ACTA BIOCHIMICA ET BIOPHYSICA SINICA, 53 (2): (238-248). [PMID:33410473] [10.1093/abbs/gmaa169] |
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