Cas no 166527-00-0 (7-Desmethyl-3-hydroxyagomelatine)
7-Desmethyl-3-hydroxyagomelatine is a key intermediate in the synthesis of agomelatine, a melatonin receptor agonist and serotonin antagonist used in the treatment of major depressive disorder. This compound exhibits high purity and stability, making it suitable for pharmaceutical research and development. Its structural features, including the hydroxy and desmethyl modifications, enhance its reactivity and selectivity in synthetic pathways. As a precursor, it offers precise control over agomelatine production, ensuring consistent quality and efficacy. The compound is characterized by its well-defined chemical properties, facilitating its use in analytical and process chemistry applications. Its role in enabling efficient and scalable synthesis underscores its importance in medicinal chemistry.
166527-00-0 structure
Product Name:7-Desmethyl-3-hydroxyagomelatine
7-Desmethyl-3-hydroxyagomelatine Chemical and Physical Properties
Names and Identifiers
-
- 7-Desmethyl-3-hydroxyagomelatine
- FMUHSDLSKQLNNB-UHFFFAOYSA-N
- HY-133112
- AKOS040732348
- SCHEMBL8609306
- DA-49970
- CS-0111228
- N-[2-(3,7-DIHYDROXYNAPHTH-1-YL)ETHYL]ACETAMIDE
- N-[2-(3,7-dihydroxy-1-naphthalenyl)ethyl]acetamide; Agomelatine 7-Desmethyl-3-Hydroxy Impurity
- N-[2-(3,7-dihydroxynaphthalen-1-yl)ethyl]acetamide
- 166527-00-0
- 3-Hydroxy-7-desmethyl agomelatine
-
- Inchi： InChI=1S/C14H15NO3/c1-9(16)15-5-4-11-7-13(18)6-10-2-3-12(17)8-14(10)11/h2-3,6-8,17-18H,4-5H2,1H3,(H,15,16)
- InChI Key： FMUHSDLSKQLNNB-UHFFFAOYSA-N
- SMILES： CC(=O)NCCC1=C2C=C(C=CC2=CC(=C1)O)O
Computed Properties
- Exact Mass: 245.10519334g/mol
- Monoisotopic Mass: 245.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 295
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 69.6?2
Experimental Properties
- Melting Point: >141°C (dec.)
7-Desmethyl-3-hydroxyagomelatine Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
7-Desmethyl-3-hydroxyagomelatine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D282150-2.5mg |
7-Desmethyl-3-hydroxyagomelatine |
166527-00-0 | 2.5mg |
$ 224.00 | 2023-09-08 | ||
| TRC | D282150-25mg |
7-Desmethyl-3-hydroxyagomelatine |
166527-00-0 | 25mg |
$ 1906.00 | 2023-09-08 | ||
| AN HUI ZE SHENG Technology Co., Ltd. | D282150-2.5mg |
N-(2-(3,7-dihydroxynaphthalen-1-yl)ethyl)acetamide |
166527-00-0 | 2.5mg |
￥1925.00 | 2023-09-15 | ||
| AN HUI ZE SHENG Technology Co., Ltd. | D282150-25mg |
N-(2-(3,7-dihydroxynaphthalen-1-yl)ethyl)acetamide |
166527-00-0 | 25mg |
￥17325.00 | 2023-09-15 | ||
| SHANG HAI YUAN YE Biotechnology Co., Ltd. | T54387-2.5mg |
7-Desmethyl-3-hydroxyagomelatine |
166527-00-0 | 2.5mg |
￥4520.00 | 2022-10-09 | ||
| SHANG HAI YUAN YE Biotechnology Co., Ltd. | T54387-25mg |
7-Desmethyl-3-hydroxyagomelatine |
166527-00-0 | 25mg |
￥23910.00 | 2022-10-09 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-500443-2.5mg |
7-Desmethyl-3-hydroxyagomelatine, |
166527-00-0 | 2.5mg |
￥2858.00 | 2023-09-05 | ||
| Biosynth | RGA52700-1 mg |
3-Hydroxy-7-desmethyl agomelatine |
166527-00-0 | 1mg |
$220.00 | 2023-01-02 | ||
| Biosynth | RGA52700-5 mg |
3-Hydroxy-7-desmethyl agomelatine |
166527-00-0 | 5mg |
$715.00 | 2023-01-02 | ||
| Biosynth | RGA52700-10 mg |
3-Hydroxy-7-desmethyl agomelatine |
166527-00-0 | 10mg |
$1,144.00 | 2023-01-02 |
7-Desmethyl-3-hydroxyagomelatine Related Literature
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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