Agomelatine • ChemWhat | Database of Chemicals & Biologicals

Agomelatine Nitroso Impurity 1 CAS#: N/A

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

Physical Data

Appearance	No data available
Solubility	No data available
Flash Point	No data available
Refractive index	No data available
Sensitivity	No data available
Melting Point	No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code	382290
Storage	At room temperature and away from light
Related Chemicals

Use Pattern

Agomelatine Nitroso Impurity 1 is chemically N,N-bis(2-(7-methoxynaphthalen-1-yl)ethyl)nitrous amide. Agomelatine Nitroso Impurity 1 is supplied with detailed characterization data compliant with regulatory guideline. Agomelatine Nitroso Impurity 1 can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Agomelatine. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

N-Nitroso Agomelatine CAS#: N/A

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

Physical Data

Appearance	No data available
Solubility	No data available
Flash Point	No data available
Refractive index	No data available
Sensitivity	No data available
Melting Point	No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code	382290
Storage	At room temperature and away from light
Related Chemicals

Use Pattern

N-Nitroso Agomelatine is chemically N-(2-(7-Methoxynaphthalen-1-yl)ethyl)-N-nitrosoacetamide. N-Nitroso Agomelatine is supplied with detailed characterization data compliant with regulatory guideline. N-Nitroso Agomelatine can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Agomelatine. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Agomelatine Impurity 12 CAS#: 861960-34-1

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

Physical Data

Appearance	No data available
Solubility	No data available
Flash Point	No data available
Refractive index	No data available
Sensitivity	No data available
Melting Point	No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code	382290
Storage	At room temperature and away from light
Related Chemicals

Use Pattern

Agomelatine Impurity 12 is chemically 2-(7-Methoxy-3,4-dihydronaphthalen-1-yl)acetonitrile. Agomelatine Impurity 12 is supplied with detailed characterization data compliant with regulatory guideline. Agomelatine Impurity 12 can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Agomelatine. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Agomelatine Urea CAS#: 1366181-82-9

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

Physical Data

Appearance	No data available
Solubility	No data available
Flash Point	No data available
Refractive index	No data available
Sensitivity	No data available
Melting Point	No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code	382290
Storage	At room temperature and away from light
Related Chemicals	138112-76-2 (free base) ; 1402352-28-6 (Sulfate salt) ; 1176317-02-4 (HBr salt)

Use Pattern

Agomelatine Urea is chemically N-(2-(7-methoxynaphthalen-1-yl)ethyl)acetamide compound with urea (1:1). Agomelatine Urea is supplied with detailed characterization data compliant with regulatory guideline. Agomelatine Urea can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Agomelatine. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Agomelatine Impurity 5 CAS#: 138113-09-4

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

Physical Data

Appearance	No data available
Solubility	No data available
Flash Point	No data available
Refractive index	No data available
Sensitivity	No data available
Melting Point	No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code	382290
Storage	At room temperature and away from light
Related Chemicals	139525-77-2 (HCl salt)

Use Pattern

Agomelatine Impurity 5 is chemically 2-(7-Methoxynaphthalen-1-yl)ethanamine. It is also known as Agomelatine Desacetyl Impurity . Agomelatine Impurity 5 is supplied with detailed characterization data compliant with regulatory guideline. Agomelatine Impurity 5 can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Agomelatine. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Agomelatine Impurity 16 CAS#: 6836-22-2

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

Physical Data

Appearance	No data available
Solubility	No data available
Flash Point	No data available
Refractive index	No data available
Sensitivity	No data available
Melting Point	No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code	382290
Storage	At room temperature and away from light
Related Chemicals

Use Pattern

Agomelatine Impurity 16 is chemically 2-(7-Methoxynaphthalen-1-yl)acetic acid. Agomelatine Impurity 16 is supplied with detailed characterization data compliant with regulatory guideline. Agomelatine Impurity 16 can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Agomelatine. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Agomelatine Impurity B CAS#: 22009-38-7

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

Physical Data

Appearance	No data available
Solubility	No data available
Flash Point	No data available
Refractive index	No data available
Sensitivity	No data available
Melting Point	No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code	382290
Storage	At room temperature and away from light
Related Chemicals

Use Pattern

Agomelatine Impurity B is chemically 7-Hydroxy-3,4-dihydronaphthalen-1(2H)-one. Agomelatine Impurity B is supplied with detailed characterization data compliant with regulatory guideline. Agomelatine Impurity B can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Agomelatine. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Agomelatine Impurity 13 CAS#: 178677-49-1

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

Physical Data

Appearance	No data available
Solubility	No data available
Flash Point	No data available
Refractive index	No data available
Sensitivity	No data available
Melting Point	No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code	382290
Storage	At room temperature and away from light
Related Chemicals

Use Pattern

Agomelatine Impurity 13 is chemically N-(2-(7-Methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl)acetamide. Agomelatine Impurity 13 is supplied with detailed characterization data compliant with regulatory guideline. Agomelatine Impurity 13 can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Agomelatine. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Agomelatine Impurity 17 CAS#: 127299-26-7

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

Physical Data

Appearance	No data available
Solubility	No data available
Flash Point	No data available
Refractive index	No data available
Sensitivity	No data available
Melting Point	No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code	382290
Storage	At room temperature and away from light
Related Chemicals

Use Pattern

Agomelatine Impurity 17 is chemically (E)-2-(7-Methoxy-3,4-dihydronaphthalen-1(2H)-ylidene)acetonitrile. Agomelatine Impurity 17 is supplied with detailed characterization data compliant with regulatory guideline. Agomelatine Impurity 17 can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Agomelatine. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Agomelatine Impurity 1 CAS#: 1352139-51-5

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

Physical Data

Appearance	No data available
Solubility	No data available
Flash Point	No data available
Refractive index	No data available
Sensitivity	No data available
Melting Point	No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code	382290
Storage	At room temperature and away from light
Related Chemicals

Use Pattern

Agomelatine Impurity 1 is chemically N-[2-(3,4-Dihydro-7-methoxy-1-naphthyl)ethyl]acetamide. It is also known as 3,4-Dihydroagomelatine. Agomelatine Impurity 1 is supplied with detailed characterization data compliant with regulatory guideline. Agomelatine Impurity 1 can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Agomelatine. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Product Name	Agomelatine Nitroso Impurity 1
Molecular Structure
CAS Registry Number	N/A
EINECS Number
MDL Number
Beilstein Registry Number
Synonyms	N,N-bis(2-(7-methoxynaphthalen-1-yl)ethyl)nitrous amide
Molecular Formula	C26H26N2O3
Molecular Weight	414.5
InChI
InChI Key
Canonical SMILES	COC1=CC(C(CCN(N=O)CCC2=CC=CC3=C2C=C(OC)C=C3)=CC=C4)=C4C=C1

Product Name	N-Nitroso Agomelatine
Molecular Structure
CAS Registry Number	N/A
EINECS Number
MDL Number
Beilstein Registry Number
Synonyms	N-(2-(7-Methoxynaphthalen-1-yl)ethyl)-N-nitrosoacetamide
Molecular Formula	C15H16N2O3
Molecular Weight	272.3
InChI
InChI Key
Canonical SMILES	CC(N(CCC1=C2C=C(C=CC2=CC=C1)OC)N=O)=O

Product Name	Agomelatine Impurity 12
Molecular Structure
CAS Registry Number	861960-34-1
EINECS Number
MDL Number
Beilstein Registry Number
Synonyms	2-(7-Methoxy-3,4-dihydronaphthalen-1-yl)acetonitrile
Molecular Formula	C13H13NO
Molecular Weight	199.3
InChI
InChI Key
Canonical SMILES	N#CCC1=CCCC2=C1C=C(OC)C=C2

Product Name	Agomelatine Urea
Molecular Structure
CAS Registry Number	1366181-82-9
EINECS Number
MDL Number
Beilstein Registry Number
Synonyms	N-(2-(7-methoxynaphthalen-1-yl)ethyl)acetamide compound with urea (1:1)
Molecular Formula	C15H17NO2 : CH4N2O
Molecular Weight	243.3 : 60.1
InChI
InChI Key
Canonical SMILES	CC(NCCC1=CC=CC2=C1C=C(OC)C=C2)=O.NC(N)=O

Product Name	Agomelatine Impurity 5
Molecular Structure
CAS Registry Number	138113-09-4
EINECS Number
MDL Number
Beilstein Registry Number
Synonyms	2-(7-Methoxynaphthalen-1-yl)ethanamine
Molecular Formula	C13H15NO
Molecular Weight	201.2
InChI
InChI Key
Canonical SMILES	NCCC1=CC=CC2=CC=C(OC)C=C21

Product Name	Agomelatine Impurity 16
Molecular Structure
CAS Registry Number	6836-22-2
EINECS Number
MDL Number
Beilstein Registry Number
Synonyms	2-(7-Methoxynaphthalen-1-yl)acetic acid
Molecular Formula	C13H12O3
Molecular Weight	216.2
InChI
InChI Key
Canonical SMILES	O=C(O)CC1=C2C=C(OC)C=CC2=CC=C1

Product Name	Agomelatine Impurity B
Molecular Structure
CAS Registry Number	22009-38-7
EINECS Number
MDL Number
Beilstein Registry Number
Synonyms	7-Hydroxy-3,4-dihydronaphthalen-1(2H)-one
Molecular Formula	C10H10O2
Molecular Weight	162.2
InChI
InChI Key
Canonical SMILES	OC1=CC2=C(CCCC2=O)C=C1

Product Name	Agomelatine Impurity 13
Molecular Structure
CAS Registry Number	178677-49-1
EINECS Number
MDL Number
Beilstein Registry Number
Synonyms	N-(2-(7-Methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl)acetamide
Molecular Formula	C15H21NO2
Molecular Weight	247.3
InChI
InChI Key
Canonical SMILES	CC(NCCC1C2=CC(OC)=CC=C2CCC1)=O

Product Name	Agomelatine Impurity 17
Molecular Structure
CAS Registry Number	127299-26-7
EINECS Number
MDL Number
Beilstein Registry Number
Synonyms	(E)-2-(7-Methoxy-3,4-dihydronaphthalen-1(2H)-ylidene)acetonitrile
Molecular Formula	C13H13NO
Molecular Weight	199.3
InChI
InChI Key
Canonical SMILES	N#C/C=C1C2=CC(OC)=CC=C2CCC/1

Product Name	Agomelatine Impurity 1
Molecular Structure
CAS Registry Number	1352139-51-5
EINECS Number
MDL Number
Beilstein Registry Number
Synonyms	N-[2-(3,4-Dihydro-7-methoxy-1-naphthyl)ethyl]acetamide
Molecular Formula	C15H19NO2
Molecular Weight	245.32
InChI
InChI Key
Canonical SMILES	COC1=CC=C(CCC=C2CCNC(C)=O)C2=C1