CAS Number152302-45-9
Synonyms7-Demethyl-Agomelatine; N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide; N-[2-(7-Hydroxy-1-naphthyl)ethyl]acetamide; N-(2-(7-hydroxy-1-naphthyl)ethyl)acetamide; 7-Desmethylagomelatine
Molecular FormulaC14H15NO2
Molecular Weight229.274
Purity96+%
Density1.2±0.1 g/cm3
Boiling Point511.3±33.0 °C at 760 mmHg
EINECS0
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 152302-45-9 |
| Catalog No. | 2A-0160540 |
| Chinese Name | N-(2-(7-羟基萘-1-基)乙基)乙酰胺 |
| Synonyms | 7-Demethyl-Agomelatine; N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide; N-[2-(7-Hydroxy-1-naphthyl)ethyl]acetamide; N-(2-(7-hydroxy-1-naphthyl)ethyl)acetamide; 7-Desmethylagomelatine |
| Molecular Formula | C14H15NO2 |
| Molecular Weight | 229.274 |
| Purity | 96+ |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 511.3±33.0 °C at 760 mmHg |
| Application | 7-Desmethyl-agomelatine is a metabolite of Agomelatine. Agomelatineis is a potent agonist of melatonin receptors (MT1 and MT2) and an antagonist of 5-HT2C. |
| EINECS | 0 |
| HTC | 2924299090 |
| UN(IATA) | 0 |
| PubChem ID | 16885371 |
| SMILES | CC(=O)NCCc1cccc2ccc(O)cc12 |
| InChI | InChI=1S/C14H15NO2/c1-10(16)15-8-7-12-4-2-3-11-5-6-13(17)9-14(11)12/h2-6,9,17H,7-8H2,1H3,(H,15,16) |
| InChI Key | UNTZQBYXDYYXIY-UHFFFAOYSA-N |
| MSDS | msds/160540_1_152302_45_9.pdf |
| Use of | Properties Name N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide Synonym More Synonyms 7-Desmethylagomelatine Biological Activity Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [2]. Li M, et al. Development and validation a LC-MS/MS method for the simultaneous determination of agomelatine and its metabolites, 7-desmethyl-agomelatine and 3-hydroxy-agomelatine in human plasma: Application to a bioequivalence study. J Chromatogr B Analyt Technol Biomed Life Sci. 2015 Oct 15;1003:60-6. Chemical & Physical Properties Molecular Formula C14H15NO2 Exact Mass 229.110275 PSA 52.82000 Index of Refraction 1.624 InChIKey UNTZQBYXDYYXIY-UHFFFAOYSA-N Safety Information HS Code 2924299090 Synthetic Route Agomelatine CAS#:138112-76-2 7-Desmethylagom... CAS#:152302-45-9 Literature: Ettaoussi, Mohamed; Sabaouni, Ahmed; Rami, Marouan; Boutin, Jean A.; Delagrange, Philippe; Renard, Pierre; Spedding, Michael; Caignard, Daniel-Henri; Berthelot, Pascal; Yous, Said European Journal of Medicinal Chemistry, 2012 , vol. 49, p. 310 - 323 N-[2-(7-hydroxy... CAS#:296280-78-9 7-Desmethylagom... CAS#:152302-45-9 2-(7-Methoxy-1-... CAS#:139525-77-2 7-Desmethylagom... CAS#:152302-45-9 Literature: Depreux; Lesieur; Mansour; Morgan; Howell; Renard; Caignard; Pfeiffer; Delagrange; Guardiola; Yous; Demarque; Adam; Andrieux Journal of Medicinal Chemistry, 1994 , vol. 37, # 20 p. 3231 - 3239 Precursor & DownStream Precursor 4 CAS#:138112-76-2 Agomelatine CAS#:296280-78-9 N-[2-(7-hydroxy... CAS#:139525-77-2 2-(7-Methoxy-1-... CAS#:22009-38-7 7-Hydroxy-1-tet... DownStream 1 CAS#:138112-76-2 Agomelatine |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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