Agomelatine

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Systematic / IUPAC Name: N-[2-(7-Methoxy-1-naphthyl)ethyl]acetamide

ID: Reference6965

Other Names: Melitor;
Thymanax;
N-[2-(7-Methoxy-1-naphthalenyl)ethyl]acetamide;
N-[2-(7-Methoxy-1-naphthyl)ethyl]acetamide ;
N-[2-(7-Methoxynaphthalen-1-yl)ethyl]acetamide

Formula: C15H17NO2

Spectral Data

Agomelatine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 407
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/26/2017 11:43:54 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChI Key YJYPHIXNFHFHND-UHFFFAOYSA-N
Canonical SMILES CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC
CAS
Splash
Other Names Melitor;
Thymanax;
N-[2-(7-Methoxy-1-naphthalenyl)ethyl]acetamide;
N-[2-(7-Methoxy-1-naphthyl)ethyl]acetamide ;
N-[2-(7-Methoxynaphthalen-1-yl)ethyl]acetamide ;
Acetamide, N-[2-(7-methoxy-1-naphthalenyl)ethyl]-

In Other Databases

PubChem 82148
KEGG D02578
ChEMBL CHEMBL10878
ChemSpider 74141
HMDb HMDB15636
ChemIDPlus 138112762
DrugBank DB06594
Wikipedia Agomelatine