Doravirine Impurity 2 CAS#: 2054541-33-0

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

Identification

英文名 Doravirine Impurity 2
分子结构
CAS编号 2054541-33-0
EINECS Number
MDL Number
Beilstein Registry Number
别名 3-Chloro-5-((1-((4-methyl-1-((4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzonitrile
分子式 C21H16ClF3N8O4
分子量 536.9
InChI
InChI Key
Canonical SMILES N#CC1=CC(OC2=C(C(F)(F)F)C=CN(CC(N3C)=NN(CC(N4C)=NNC4=O)C3=O)C2=O)=CC(Cl)=C1

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
Doravirine Impurity 2 is chemically 3-Chloro-5-((1-((4-methyl-1-((4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzonitrile. Doravirine Impurity 2 is supplied with detailed characterization data compliant with regulatory guideline. Doravirine 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 Doravirine. 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.

Doravirine Carboxylic Acid 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 Doravirine Carboxylic Acid Impurity
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 3-Chloro-5-((1-((4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzoic acid
分子式 C17H12ClF3N4O5
分子量 444.8
InChI
InChI Key
Canonical SMILES O=C(O)C1=CC(OC2=C(C(F)(F)F)C=CN(CC(N3C)=NNC3=O)C2=O)=CC(Cl)=C1

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
Doravirine Carboxylic Acid Impurity is chemically 3-Chloro-5-((1-((4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzoic acid. Doravirine Carboxylic Acid Impurity is supplied with detailed characterization data compliant with regulatory guideline. Doravirine Carboxylic Acid 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 Doravirine. 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.

Doravirine Amide Impurity CAS#: 2054541-28-3

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

Identification

英文名 Doravirine Amide Impurity
分子结构
CAS编号 2054541-28-3
EINECS Number
MDL Number
Beilstein Registry Number
别名 3-Chloro-5-((1-((4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzamide
分子式 C17H13ClF3N5O4
分子量 443.8
InChI
InChI Key
Canonical SMILES O=C(N)C1=CC(OC2=C(C(F)(F)F)C=CN(CC(N3C)=NNC3=O)C2=O)=CC(Cl)=C1

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
Doravirine Amide Impurity is chemically 3-Chloro-5-((1-((4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzamide. Doravirine Amide Impurity is supplied with detailed characterization data compliant with regulatory guideline. Doravirine Amide 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 Doravirine. 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.

Doravirine Impurity 1 CAS#: 1155846-86-8

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

Identification

英文名 Doravirine Impurity 1
分子结构
CAS编号 1155846-86-8
EINECS Number
MDL Number
Beilstein Registry Number
别名 3-Chloro-5-((2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzonitrile
分子式 C13H6ClF3N2O2
分子量 314.6
InChI
InChI Key
Canonical SMILES N#CC1=CC(OC2=C(C(F)(F)F)C=CNC2=O)=CC(Cl)=C1

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
Doravirine Impurity 1 is chemically 3-Chloro-5-((2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzonitrile. Doravirine Impurity 1 is supplied with detailed characterization data compliant with regulatory guideline. Doravirine 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 Doravirine. 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.

Doravirine 13C6 CAS#: N/A

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

Identification

英文名 Doravirine 13C6
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 3-Chloro-5-((1-((4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzonitrile-1,2,3,4,5,6-13C6
分子式 C1113C6H11ClF3N5O3
分子量 431.7
InChI
InChI Key
Canonical SMILES N#C[13C]1=[13CH][13C](OC2=C(C(F)(F)F)C=CN(CC(N3C)=NNC3=O)C2=O)=[13CH][13C](Cl)=[13CH]1

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 1338225-97-0 (unlabeled)
Use Pattern
Doravirine 13C6 is chemically 3-Chloro-5-((1-((4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzonitrile-1,2,3,4,5,6-13C6. Doravirine 13C6 is supplied with detailed characterization data compliant with regulatory guideline. Doravirine 13C6 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 Doravirine. 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.

Doravirine CAS#: 1338225-97-0

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

Identification

英文名 Doravirine
分子结构
CAS编号 1338225-97-0
EINECS Number
MDL Number
Beilstein Registry Number
别名 3-chloro-5-((1-((4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzonitrile
分子式 C17H11ClF3N5O3
分子量 425.75
InChI
InChI Key
Canonical SMILES O=C1C(OC2=CC(C#N)=CC(Cl)=C2)=C(C=CN1CC(N3C)=NNC3=O)C(F)(F)F

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
Doravirine is chemically 3-chloro-5-((1-((4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzonitrile. Doravirine is supplied with detailed characterization data compliant with regulatory guideline. Doravirine 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 Doravirine. 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.

Doravirine 13CD3 CAS#: N/A

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

Identification

英文名 Doravirine 13CD3
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 3-chloro-5-((1-((4-(methyl-13C-d3)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzonitrile
分子式 C1613CH8D3ClF3N5O3
分子量 429.8
InChI
InChI Key
Canonical SMILES O=C1C(OC2=CC(C#N)=CC(Cl)=C2)=C(C=CN1CC(N3[13C]([2H])([2H])[2H])=NNC3=O)C(F)(F)F

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 1338225-97-0 (unlabeled)
Use Pattern
Doravirine 13CD3 is chemically 3-chloro-5-((1-((4-(methyl-13C-d3)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzonitrile. Doravirine 13CD3 is supplied with detailed characterization data compliant with regulatory guideline. Doravirine 13CD3 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 Doravirine. 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.