O-Methyl Dolutegravir Ring Open Chain CAS#: 2227442-13-7

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

Identification

英文名 O-Methyl Dolutegravir Ring Open Chain
分子结构
CAS编号 2227442-13-7
EINECS Number
MDL Number
Beilstein Registry Number
别名 (R)-N-(2,4-Difluorobenzyl)-2-(4-hydroxybutan-2-yl)-9-methoxy-1,8-dioxo-1,8-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide
分子式 C21H21F2N3O5
分子量 433.4
InChI
InChI Key
Canonical SMILES FC1=CC=C(CNC(C2=CN(C=CN([C@H](C)CCO)C3=O)C3=C(OC)C2=O)=O)C(F)=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
O-Methyl Dolutegravir Ring Open Chain is chemically (R)-N-(2,4-Difluorobenzyl)-2-(4-hydroxybutan-2-yl)-9-methoxy-1,8-dioxo-1,8-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide. O-Methyl Dolutegravir Ring Open Chain is supplied with detailed characterization data compliant with regulatory guideline. O-Methyl Dolutegravir Ring Open Chain 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 Dolutegravir. 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.

Dolutegravir Impurity 33 CAS#: N/A

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

Identification

英文名 Dolutegravir Impurity 33
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4S,12aS)-N-(2,4-Difluorobenzyl)-7-methoxy-4,12a-dimethyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide
分子式 C22H23F2N3O5
分子量 447.4
InChI
InChI Key
Canonical SMILES FC1=CC=C(CNC(C2=CN(C[C@@]3(C)N([C@@H](C)CCO3)C4=O)C4=C(OC)C2=O)=O)C(F)=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
Dolutegravir Impurity 33 is chemically (4S,12aS)-N-(2,4-Difluorobenzyl)-7-methoxy-4,12a-dimethyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide. Dolutegravir Impurity 33 is supplied with detailed characterization data compliant with regulatory guideline. Dolutegravir Impurity 33 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 Dolutegravir. 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.

Dolutegravir Impurity 30 CAS#: N/A

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

Identification

英文名 Dolutegravir Impurity 30
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 5-Ethoxy-6-(Ethoxycarbonyl)-4-oxo-1-(2-oxoethyl)-1,4-dihydropyridine-3-carboxylic acid
分子式 C13H15NO7
分子量 297.3
InChI
InChI Key
Canonical SMILES O=C(C1=CN(CC=O)C(C(OCC)=O)=C(OCC)C1=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
Dolutegravir Impurity 30 is chemically 5-Ethoxy-6-(Ethoxycarbonyl)-4-oxo-1-(2-oxoethyl)-1,4-dihydropyridine-3-carboxylic acid. Dolutegravir Impurity 30 is supplied with detailed characterization data compliant with regulatory guideline. Dolutegravir Impurity 30 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 Dolutegravir. 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.

O-Methyl Dolutegravir (4S,12S Isomer) CAS#: 2968897-85-8

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

Identification

英文名 O-Methyl Dolutegravir (4S,12S Isomer)
分子结构
CAS编号 2968897-85-8
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4S,12aS)-N-(2,4-Difluorobenzyl)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide
分子式 C21H21F2N3O5
分子量 433.4
InChI
InChI Key
Canonical SMILES O=C(C1=CN(C2=C(OC)C1=O)C[C@]3([H])OCC[C@H](C)N3C2=O)NCC4=CC=C(F)C=C4F

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
O-Methyl Dolutegravir (4S,12S Isomer) is chemically (4S,12aS)-N-(2,4-Difluorobenzyl)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide. O-Methyl Dolutegravir (4S,12S Isomer) is supplied with detailed characterization data compliant with regulatory guideline. O-Methyl Dolutegravir (4S,12S Isomer) 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 Dolutegravir. 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.

Dolutegravir Impurity 36 CAS#: N/A

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

Identification

英文名 Dolutegravir Impurity 36
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4R,9aS)-8-Formyl-4-methyl-6-oxohexahydro-2H,6H-pyrazino[2,1-b][1,3]oxazine-7-carboxylic acid
分子式 C10H14N2O5
分子量 242.2
InChI
InChI Key
Canonical SMILES O=C(C1N(C=O)C[C@]2([H])OCC[C@@H](C)N2C1=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
Dolutegravir Impurity 36 is chemically (4R,9aS)-8-Formyl-4-methyl-6-oxohexahydro-2H,6H-pyrazino[2,1-b][1,3]oxazine-7-carboxylic acid. Dolutegravir Impurity 36 is supplied with detailed characterization data compliant with regulatory guideline. Dolutegravir Impurity 36 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 Dolutegravir. 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.

Dolutegravir Isopropyl Analouge CAS#: N/A

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

Identification

英文名 Dolutegravir Isopropyl Analouge
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4R,12aS)-N-(2,4-Difluorobenzyl)-7-isopropoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide
分子式 C23H25F2N3O5
分子量 461.5
InChI
InChI Key
Canonical SMILES FC1=CC(F)=C(CNC(C2=CN(C[C@@](OCC[C@H]3C)([H])N3C4=O)C4=C(OC(C)C)C2=O)=O)C=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
Dolutegravir Isopropyl Analouge is chemically (4R,12aS)-N-(2,4-Difluorobenzyl)-7-isopropoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide. Dolutegravir Isopropyl Analouge is supplied with detailed characterization data compliant with regulatory guideline. Dolutegravir Isopropyl Analouge 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 Dolutegravir. 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.

Dolutegravir Nitroso Impurity 1 CAS#: N/A

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

Identification

英文名 Dolutegravir Nitroso Impurity 1
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 5-((2,4-Difluorobenzyl)carbamoyl)-3-hydroxy-1-((4-methyl-3-nitroso-1,3-oxazinan-2-yl)methyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子式 C20H20F2N4O7
分子量 466.4
InChI
InChI Key
Canonical SMILES FC1=CC=C(CNC(C2=CN(CC3OCCC(C)N3N=O)C(C(O)=O)=C(O)C2=O)=O)C(F)=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
Dolutegravir Nitroso Impurity 1 is chemically 5-((2,4-Difluorobenzyl)carbamoyl)-3-hydroxy-1-((4-methyl-3-nitroso-1,3-oxazinan-2-yl)methyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid. Dolutegravir Nitroso Impurity 1 is supplied with detailed characterization data compliant with regulatory guideline. Dolutegravir 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 Dolutegravir. 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.

Dolutegravir Impurity 35 CAS#: 1897709-05-5

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

Identification

英文名 Dolutegravir Impurity 35
分子结构
CAS编号 1897709-05-5
EINECS Number
MDL Number
Beilstein Registry Number
别名 (2,4-Difluorobenzyl)carbamic acid
分子式 C8H7F2NO2
分子量 187.1
InChI
InChI Key
Canonical SMILES O=C(O)NCC1=CC=C(F)C=C1F

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
Dolutegravir Impurity 35 is chemically (2,4-Difluorobenzyl)carbamic acid. Dolutegravir Impurity 35 is supplied with detailed characterization data compliant with regulatory guideline. Dolutegravir Impurity 35 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 Dolutegravir. 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.

Dolutegravir Impurity 21 CAS#: 1335210-34-8

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

Identification

英文名 Dolutegravir Impurity 21
分子结构
CAS编号 1335210-34-8
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4R,12aS)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid
分子式 C14H16N2O6
分子量 308.3
InChI
InChI Key
Canonical SMILES O=C(O)C1=CN(C[C@@](OCC[C@H]2C)([H])N2C3=O)C3=C(OC)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
Dolutegravir Impurity 21 is chemically (4R,12aS)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid. Dolutegravir Impurity 21 is supplied with detailed characterization data compliant with regulatory guideline. Dolutegravir 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 Dolutegravir. 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.

Dolutegravir Impurity 34 CAS#: 2731934-64-6

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

Identification

英文名 Dolutegravir Impurity 34
分子结构
CAS编号 2731934-64-6
EINECS Number
MDL Number
Beilstein Registry Number
别名 (S)-N-(2,4-Difluorobenzyl)-9-hydroxy-2-(4-hydroxybutan-2-yl)-1,8-dioxo-1,8-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide
分子式 C20H19F2N3O5
分子量 419.4
InChI
InChI Key
Canonical SMILES O=C1C(N(C=CN1[C@@H](C)CCO)C=C2C(NCC(C=CC(F)=C3)=C3F)=O)=C(C2=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
Dolutegravir Impurity 34 is chemically (S)-N-(2,4-Difluorobenzyl)-9-hydroxy-2-(4-hydroxybutan-2-yl)-1,8-dioxo-1,8-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide. Dolutegravir Impurity 34 is supplied with detailed characterization data compliant with regulatory guideline. Dolutegravir Impurity 34 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 Dolutegravir. 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.