7-Desmethylagomelatine

Modify Date: 2025-08-24 20:39:54

7-Desmethylagomelatine Structure
7-Desmethylagomelatine structure
Common Name 7-Desmethylagomelatine
CAS Number 152302-45-9 Molecular Weight 229.274
Density 1.2±0.1 g/cm3 Boiling Point 511.3±33.0 °C at 760 mmHg
Molecular Formula C14H15NO2 Melting Point N/A
MSDS N/A Flash Point 263.0±25.4 °C

 Use of 7-Desmethylagomelatine


7-Desmethyl-agomelatine is a metabolite of Agomelatine. Agomelatineis a potent agonist at melatonin receptors (MT1 and MT2), and also is an antagonist of 5-HT2C[1][2].

 Names

Name N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 511.3±33.0 °C at 760 mmHg
Molecular Formula C14H15NO2
Molecular Weight 229.274
Flash Point 263.0±25.4 °C
Exact Mass 229.110275
PSA 52.82000
LogP 1.62
Vapour Pressure 0.0±1.4 mmHg at 25°C
Index of Refraction 1.624
InChIKey UNTZQBYXDYYXIY-UHFFFAOYSA-N
SMILES CC(=O)NCCc1cccc2ccc(O)cc12

 Safety Information

HS Code 2924299090

 Synthetic Route

~79%

7-Desmethylagomelatine Structure

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

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7-Desmethylagomelatine Structure

7-Desmethylagom...

CAS#:152302-45-9

Literature: SYMED LABS LIMITED; MOHAN RAO, Dodda; ANNA REDDY, Ambati Patent: WO2014/64706 A1, 2014 ; Location in patent: Page/Page column 76 ;

~%

7-Desmethylagomelatine Structure

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

~%

7-Desmethylagomelatine Structure

7-Desmethylagom...

CAS#:152302-45-9

Literature: SYMED LABS LIMITED; MOHAN RAO, Dodda; ANNA REDDY, Ambati Patent: WO2014/64706 A1, 2014 ;

 Customs

HS Code 2924299090
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%

 7-DesmethylagomelatineBioassay

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Name: Activity (expressed as cAMP index) measured by the melatonin-mediated inhibition of f...
Source: ChEMBL
Target: Melatonin receptor type 1B
External Id: CHEMBL714711
Name: Blocking the inhibitory effect of 1 nM melatonin.
Source: ChEMBL
Target: Melatonin receptor type 1B
External Id: CHEMBL714702
Name: Negative logarithm of relative affinity (pRA) towards melatonin receptor (relative to...
Source: ChEMBL
Target: Melatonin receptor type 1B
External Id: CHEMBL715566
Name: Binding affinity to melatonin receptor measured on ovine pars tuberalis membrane
Source: ChEMBL
Target: Melatonin receptor type 1B
External Id: CHEMBL714705
Name: Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatoni...
Source: ChEMBL
Target: Melatonin receptor type 1B
External Id: CHEMBL714909
Name: Monophasic inhibitory concentration against melatonin receptor was measured on ovine ...
Source: ChEMBL
Target: Melatonin receptor type 1B
External Id: CHEMBL714704
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 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
Agomelatine Impurity 12
7-Desmethylagomelatine
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