Agomelatine Impurity 2
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Basic information
- CAS
178677-39-9- Standard SMILES
COc1ccc2c(c1)/C(=C/CNC(C)=O)CCC2- InChIKey
WYDPNFMLFHAFHV-MDWZMJQESA-N- Molecular formula
- C15H19NO2
- Average molar mass
- 245.32 g/mol
- Monoisotopic mass
- 245.14157885
Names & identifiers
- Preferred name
- Agomelatine Impurity 2
- IUPAC
- N-[(2E)-2-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide
- English name
- (E)-N-(2-(7-methoxy-3,4-dihydronaphthalen-1(2H)-ylidene)ethyl)acetamide
- Molecular formula
- C15H19NO2
- Molecular weight
- 245.32
Names & synonyms
178677-39-9Agomelatine Impurity 2;1371535-56-6(E)-N-[2-(3,4-Dihydro-7-methoxy-1(2H)-naphthalenylidene)ethyl]acetamide(AgomelatineImpurity)Agomelatine Impurity 42(E)-N-(2-(7-methoxy-3,4-dihydronaphthalen-1(2h)-ylidene)ethyl)acetamide(E)-N-[2-(3,4-Dihydro-7-methoxy-1(2H)-naphthalenylidene)ethyl]acetamide(Agomelatine Impurity)Agomelatine Impurity 20SCHEMBL1289438WYDPNFMLFHAFHV-MDWZMJQESA-NN-(2-(7-methoxy-3,4-dihydronaphthalen-1(2H)-ylidene)ethyl)acetamideAllyl AgomelatineDISCONTINUED. Same as D450485
Show more names
Agomelatine-4Agomelatine Impurity 23(E)-N-[2-(3,4-Dihydro-7-methoxy-1(2H)-naphthalenylidene)ethyl]acetamideAcetamide, N-[2-(3,4-dihydro-7-methoxy-1(2H)-naphthalenylidene)ethyl]-, €Acetamide, N-[2-(3,4-dihydro-7-methoxy-1(2H)-naphthalenylidene)ethyl]-, (E)- (9CI)Agomelatine impurity 14/(E)-N-(2-(7-methoxy-3,4-dihydronaphthalen-1(2H)-ylidene)ethyl)acetamide
(E)-1-[2-(Acetylamino)ethylidene]-7-methoxy-1,2,3,4-tetrahydronaphthalene(E)-1-[2-(acetylamino)ethylidene]-7-methoxy-1,2,3,4tetrahydronaphthalene
Database identifiers
- CAS
178677-39-9- PubChem CID
- 15523935
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Boiling point
- 468.9 · 468.9±45.0 °C(Predicted)
- Density
- 1.133 · 1.133±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 15 · 15+-.0.46(Predicted)
- color
- Off-White to Beige
- Stability
- Light Sensitive
Chemistry & industry
Applications
Uses(E)-N-[2-(3,4-Dihydro-7-methoxy-1(2H)-naphthalenylidene)ethyl]acetamide is an impurity of Agomelatine (A430000) which is a melatoninergic agonist and selective antagonist of 5-HT2C receptors and used in the treatment of major depressive disorder. Agomelatine Impurity 2
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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