Elagolix CAS#: 834153-87-6

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Elagolix
分子结构
CAS编号 834153-87-6
EINECS Number
MDL Number
Beilstein Registry Number
别名 (R)-4-((2-(5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)amino)butanoic acid
分子式 C32H30F5N3O5
分子量 631.6
InChI
InChI Key
Canonical SMILES CC(N(C1=O)CC(C(F)=CC=C2)=C2C(F)(F)F)=C(C(C=CC=C3OC)=C3F)C(N1C[C@@H](C4=CC=CC=C4)NCCCC(O)=O)=O

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 832720-36-2 (sodium salt) ; 2390005-65-7 (HCl salt) ; 2254609-59-9 (K salt) ; 2390005-66-8 (TFA salt)
Use Pattern
Elagolix is chemically (R)-4-((2-(5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)amino)butanoic acid. Elagolix is supplied with detailed characterization data compliant with regulatory guideline. Elagolix 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 Elagolix sodium. 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.

Elagolix Impurity 21 CAS#: 110143-62-9

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Elagolix Impurity 21
分子结构
CAS编号 110143-62-9
EINECS Number
MDL Number
Beilstein Registry Number
别名 (S)-2-((Tert-butoxycarbonyl)amino)-2-phenylethyl methanesulfonate
分子式 C14H21NO5S
分子量 315.4
InChI
InChI Key
Canonical SMILES O=C(OC(C)(C)C)N[C@@H](C1=CC=CC=C1)CO[S](C)(=O)=O

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
Elagolix Impurity 21 is chemically (S)-2-((Tert-butoxycarbonyl)amino)-2-phenylethyl methanesulfonate. Elagolix Impurity 21 is supplied with detailed characterization data compliant with regulatory guideline. Elagolix Impurity 21 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 Elagolix sodium. 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.

Elagolix Impurity 9 CAS#: 2323071-30-1

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Elagolix Impurity 9
分子结构
CAS编号 2323071-30-1
EINECS Number
MDL Number
Beilstein Registry Number
别名 4-((2-(5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)amino)butanoic acid
分子式 C32H30F5N3O5
分子量 631.6
InChI
InChI Key
Canonical SMILES FC1=C(OC)C=CC=C1C(C2=O)=C(C)N(CC3=C(F)C=CC=C3C(F)(F)F)C(N2CC(NCCCC(O)=O)C4=CC=CC=C4)=O

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
Elagolix Impurity 9 is chemically 4-((2-(5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)amino)butanoic acid. Elagolix Impurity 9 is supplied with detailed characterization data compliant with regulatory guideline. Elagolix Impurity 9 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 Elagolix sodium. 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.

Elagolix Impurity 19 CAS#: 1150560-54-5

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Elagolix Impurity 19
分子结构
CAS编号 1150560-54-5
EINECS Number
MDL Number
Beilstein Registry Number
别名 1-(2-Fluoro-6-(trifluoromethyl)benzyl)-5-iodo-6-methylpyrimidine-2,4(1H,3H)-dione
分子式 C13H9F4IN2O2
分子量 428.1
InChI
InChI Key
Canonical SMILES O=C1NC(N(CC2=C(C(F)(F)F)C=CC=C2F)C(C)=C1I)=O

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
Elagolix Impurity 19 is chemically 1-(2-Fluoro-6-(trifluoromethyl)benzyl)-5-iodo-6-methylpyrimidine-2,4(1H,3H)-dione. Elagolix Impurity 19 is supplied with detailed characterization data compliant with regulatory guideline. Elagolix Impurity 19 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 Elagolix sodium. 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.

Elagolix Impurity 17 CAS#: N/A

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Elagolix Impurity 17
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 4-((2-(5-(2-Fluoro-3-methoxyphenyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)amino)butanoic acid
分子式 C24H26FN3O5
分子量 455.5
InChI
InChI Key
Canonical SMILES O=C1C(C2=C(F)C(OC)=CC=C2)=C(C)NC(N1CC(NCCCC(O)=O)C3=CC=CC=C3)=O

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
Elagolix Impurity 17 is chemically 4-((2-(5-(2-Fluoro-3-methoxyphenyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)amino)butanoic acid. Elagolix Impurity 17 is supplied with detailed characterization data compliant with regulatory guideline. Elagolix 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 Elagolix sodium. 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.

Elagolix Impurity 22 CAS#: 830346-47-9

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Elagolix Impurity 22
分子结构
CAS编号 830346-47-9
EINECS Number
MDL Number
Beilstein Registry Number
别名 1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione
分子式 C13H10F4N2O2
分子量 302.2
InChI
InChI Key
Canonical SMILES O=C1C=C(C)N(CC2=C(C(F)(F)F)C=CC=C2F)C(N1)=O

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
Elagolix Impurity 22 is chemically 1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione. Elagolix Impurity 22 is supplied with detailed characterization data compliant with regulatory guideline. Elagolix Impurity 22 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 Elagolix sodium. 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.

Elagolix Condensation Impurity CAS#: N/A

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Elagolix Condensation Impurity
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 Sodium 4-(((1R)-2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-(2-isopropyl-6-methyl-4-oxoheptyl)-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)amino)butanoate
分子式 C42H47F5N3O6 : Na
分子量 784.8 : 23.0
InChI
InChI Key
Canonical SMILES O=C([O-])CCCN[C@H](C1=CC=CC=C1)CN(C(N(CC2=C(C(F)(F)F)C=CC=C2F)C(CC(C(C)C)CC(CC(C)C)=O)=C3C4=CC=CC(OC)=C4F)=O)C3=O.[Na+]

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
Elagolix Condensation Impurity is chemically Sodium 4-(((1R)-2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-(2-isopropyl-6-methyl-4-oxoheptyl)-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)amino)butanoate. Elagolix Condensation Impurity is supplied with detailed characterization data compliant with regulatory guideline. Elagolix Condensation Impurity 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 Elagolix sodium. 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.

Elagolix Impurity 23 CAS#: 2316733-82-9

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Elagolix Impurity 23
分子结构
CAS编号 2316733-82-9
EINECS Number
MDL Number
Beilstein Registry Number
别名 2,2′-Difluoro-3,3′-dimethoxy-1,1′-biphenyl
分子式 C14H12F2O2
分子量 250.2
InChI
InChI Key
Canonical SMILES FC1=C(C=CC=C1C2=C(F)C(OC)=CC=C2)OC

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
Elagolix Impurity 23 is chemically 2,2′-Difluoro-3,3′-dimethoxy-1,1′-biphenyl. Elagolix Impurity 23 is supplied with detailed characterization data compliant with regulatory guideline. Elagolix Impurity 23 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 Elagolix sodium. 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.

Elagolix N-oxide Impurity 2 CAS#: N/A

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Elagolix N-oxide Impurity 2
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (E)-3-Carboxy-N-(2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)propan-1-imine oxide
分子式 C32H28F5N3O6
分子量 645.6
InChI
InChI Key
Canonical SMILES O=C(N(C(C)=C1C2=C(F)C(OC)=CC=C2)CC3=C(C(F)(F)F)C=CC=C3F)N(CC(/[N+]([O-])=CCCC(O)=O)C4=CC=CC=C4)C1=O

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
Elagolix N-oxide Impurity 2 is chemically (E)-3-Carboxy-N-(2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)propan-1-imine oxide. Elagolix N-oxide Impurity 2 is supplied with detailed characterization data compliant with regulatory guideline. Elagolix N-oxide Impurity 2 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 Elagolix sodium. 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.

Elagolix Impurity 20 CAS#: 102089-75-8

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Elagolix Impurity 20
分子结构
CAS编号 102089-75-8
EINECS Number
MDL Number
Beilstein Registry Number
别名 (R)-2-((Tert-butoxycarbonyl)amino)-2-phenylethyl methanesulfonate
分子式 C14H21NO5S
分子量 315.4
InChI
InChI Key
Canonical SMILES O=C(OC(C)(C)C)N[C@H](C1=CC=CC=C1)CO[S](C)(=O)=O

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
Elagolix Impurity 20 is chemically (R)-2-((Tert-butoxycarbonyl)amino)-2-phenylethyl methanesulfonate. Elagolix Impurity 20 is supplied with detailed characterization data compliant with regulatory guideline. Elagolix Impurity 20 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 Elagolix sodium. 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.