Cabotegravir O-glucuronide M2 CAS#: 2170827-76-4

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

Identification

英文名 Cabotegravir O-glucuronide M2
分子结构
CAS编号 2170827-76-4
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3S,11aR)-N-(2,4-difluorobenzyl)-3-methyl-5,7-dioxo-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide
分子式 C25H27F2N3O10
分子量 567.5
InChI
InChI Key
Canonical SMILES O=C1C(N(C=C2C(NCC(C=CC(F)=C3)=C3F)=O)C[C@](OC4)([H])N1[C@H]4C)=C(C2=O)O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]([C@H]5O)CO

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
Cabotegravir O-glucuronide M2 is chemically (3S,11aR)-N-(2,4-difluorobenzyl)-3-methyl-5,7-dioxo-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide. Cabotegravir O-glucuronide M2 is supplied with detailed characterization data compliant with regulatory guideline. Cabotegravir O-glucuronide M2 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 Cabotegravir. 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.

Cabotegravir Desalkyl 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 Cabotegravir Desalkyl Impurity
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 5-Methoxy-6-(methoxycarbonyl)-4-oxo-1,4-dihydropyridine-3-carboxylic acid
分子式 C9H9NO6
分子量 227.2
InChI
InChI Key
Canonical SMILES O=C1C(C(O)=O)=CNC(C(OC)=O)=C1OC

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
Cabotegravir Desalkyl Impurity is chemically 5-Methoxy-6-(methoxycarbonyl)-4-oxo-1,4-dihydropyridine-3-carboxylic acid. Cabotegravir Desalkyl Impurity is supplied with detailed characterization data compliant with regulatory guideline. Cabotegravir Desalkyl 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 Cabotegravir. 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.

Cabotegravir Diastereomer-1 Impurity CAS#: 1646862-08-9

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

Identification

英文名 Cabotegravir Diastereomer-1 Impurity
分子结构
CAS编号 1646862-08-9
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3S,11aS)-N-(2,4-Difluorobenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide
分子式 C19H17F2N3O5
分子量 405.4
InChI
InChI Key
Canonical SMILES FC1=CC=C(CNC(C2=CN(C[C@@]3([H])N([C@@H](C)CO3)C4=O)C4=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
Cabotegravir Diastereomer-1 Impurity is chemically (3S,11aS)-N-(2,4-Difluorobenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide. Cabotegravir Diastereomer-1 Impurity is supplied with detailed characterization data compliant with regulatory guideline. Cabotegravir Diastereomer-1 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 Cabotegravir. 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.

Cabotegravir O-glucuronide M1 CAS#: 2170827-75-3

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

Identification

英文名 Cabotegravir O-glucuronide M1
分子结构
CAS编号 2170827-75-3
EINECS Number
MDL Number
Beilstein Registry Number
别名 (2S,3S,4S,5R,6S)-6-(((3S,11aR)-8-((2,4-difluorobenzyl)carbamoyl)-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazin-6-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
分子式 C25H25F2N3O11
分子量 581.5
InChI
InChI Key
Canonical SMILES O=C1C(N(C=C2C(NCC(C=CC(F)=C3)=C3F)=O)C[C@](OC4)([H])N1[C@H]4C)=C(C2=O)O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]([C@H]5O)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
Cabotegravir O-glucuronide M1 is chemically (2S,3S,4S,5R,6S)-6-(((3S,11aR)-8-((2,4-difluorobenzyl)carbamoyl)-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazin-6-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid. Cabotegravir O-glucuronide M1 is supplied with detailed characterization data compliant with regulatory guideline. Cabotegravir O-glucuronide M1 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 Cabotegravir. 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.

Cabotegravir D3 (Possibility 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 Cabotegravir D3 (Possibility 1)
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3S,11aR)-N-((2,4-difluorophenyl-3-d)methyl-d2)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide
分子式 C19H14D3F2N3O5
分子量 408.4
InChI
InChI Key
Canonical SMILES O=C(N([C@H]1C)[C@@](OC1)([H])CN2C=C(C(NC([2H])([2H])C(C=CC(F)=C3[2H])=C3F)=O)C4=O)C2=C4O

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
Cabotegravir D3 (Possibility 1) is chemically (3S,11aR)-N-((2,4-difluorophenyl-3-d)methyl-d2)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide. Cabotegravir D3 (Possibility 1) is supplied with detailed characterization data compliant with regulatory guideline. Cabotegravir D3 (Possibility 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 Cabotegravir. 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.

Cabotegravir-D5 CAS#: 2750534-77-9

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

Identification

英文名 Cabotegravir-D5
分子结构
CAS编号 2750534-77-9
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3S,11aR)-N-(2,4-Difluorobenzyl)-6-hydroxy-3-(methyl-d3)-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-2,2-d2-8-carboxamide
分子式 C19H12D5F2N3O5
分子量 410.4
InChI
InChI Key
Canonical SMILES O=C(N([C@H]1C([2H])([2H])[2H])[C@@](OC1([2H])[2H])([H])CN2C=C(C(NCC(C=CC(F)=C3)=C3F)=O)C4=O)C2=C4O

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
Cabotegravir-D5 is chemically (3S,11aR)-N-(2,4-Difluorobenzyl)-6-hydroxy-3-(methyl-d3)-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-2,2-d2-8-carboxamide. Cabotegravir-D5 is supplied with detailed characterization data compliant with regulatory guideline. Cabotegravir-D5 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 Cabotegravir. 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.

Cabotegravir CAS#: 1051375-10-0

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

Identification

英文名 Cabotegravir
分子结构
CAS编号 1051375-10-0
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3S,11aR)-N-(2,4-Difluorobenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide
分子式 C19H17F2N3O5
分子量 405.4
InChI
InChI Key
Canonical SMILES O=C(N([C@H]1C)[C@@](OC1)([H])CN2C=C(C(NCC(C=CC(F)=C3)=C3F)=O)C4=O)C2=C4O

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 1051375-13-3 (sodium salt)
Use Pattern
Cabotegravir is chemically (3S,11aR)-N-(2,4-Difluorobenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide. Cabotegravir is supplied with detailed characterization data compliant with regulatory guideline. Cabotegravir 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 Cabotegravir. 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.

Cabotegravir Diastereomer-2 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 Cabotegravir Diastereomer-2 Impurity
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3R,11aR)-N-(2,4-Difluorobenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide
分子式 C19H17F2N3O5
分子量 405.4
InChI
InChI Key
Canonical SMILES FC1=CC=C(CNC(C2=CN(C[C@]3([H])N([C@H](C)CO3)C4=O)C4=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
Cabotegravir Diastereomer-2 Impurity is chemically (3R,11aR)-N-(2,4-Difluorobenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide. Cabotegravir Diastereomer-2 Impurity is supplied with detailed characterization data compliant with regulatory guideline. Cabotegravir Diastereomer-2 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 Cabotegravir. 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.

Cabotegravir Enantiomer Impurity CAS#: 1309560-64-2

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

Identification

英文名 Cabotegravir Enantiomer Impurity
分子结构
CAS编号 1309560-64-2
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3R,11aS)-N-(2,4-difluorobenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide
分子式 C19H17F2N3O5
分子量 405.4
InChI
InChI Key
Canonical SMILES O=C1C(N(C=C2C(NCC(C=CC(F)=C3)=C3F)=O)C[C@@](OC4)([H])N1[C@@H]4C)=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
Cabotegravir Enantiomer Impurity is chemically (3R,11aS)-N-(2,4-difluorobenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide. Cabotegravir Enantiomer Impurity is supplied with detailed characterization data compliant with regulatory guideline. Cabotegravir Enantiomer 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 Cabotegravir. 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.

Cabotegravir Sodium CAS#: 1051375-13-3

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

Identification

英文名 Cabotegravir Sodium
分子结构
CAS编号 1051375-13-3
EINECS Number
MDL Number
Beilstein Registry Number
别名 Sodium (3S,11aR)-8-((2,4-difluorobenzyl)carbamoyl)-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazin-6-olate
分子式 C19H16F2N3O5 : Na
分子量 404.4 : 23.0
InChI
InChI Key
Canonical SMILES O=C(N([C@H]1C)[C@@](OC1)([H])CN2C=C(C(NCC(C=CC(F)=C3)=C3F)=O)C4=O)C2=C4[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 1051375-10-0 (free base)
Use Pattern
Cabotegravir Sodium is chemically Sodium (3S,11aR)-8-((2,4-difluorobenzyl)carbamoyl)-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazin-6-olate. Cabotegravir Sodium is supplied with detailed characterization data compliant with regulatory guideline. Cabotegravir Sodium 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 Cabotegravir. 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.