Ubrogepant Impurity 6 CAS#: N/A

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

Identification

英文名 Ubrogepant Impurity 6
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (R)-N-((3S,5S,6R)-6-Methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl)-2′-oxo-1′,2′,5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3′-pyrrolo[2,3-b]pyridine]-3-carboxamide
分子式 C29H26F3N5O3
分子量 549.6
InChI
InChI Key
Canonical SMILES O=C(C1=CN=C2C(C[C@]3(C4=CC=CN=C4NC3=O)C2)=C1)N[C@@H]5C(N(CC(F)(F)F)[C@H](C)[C@H](C6=CC=CC=C6)C5)=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
Ubrogepant Impurity 6 is chemically (R)-N-((3S,5S,6R)-6-Methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl)-2′-oxo-1′,2′,5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3′-pyrrolo[2,3-b]pyridine]-3-carboxamide. Ubrogepant Impurity 6 is supplied with detailed characterization data compliant with regulatory guideline. Ubrogepant Impurity 6 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 Ubrogepant. 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.

Ubrogepant Impurity 1 CAS#: 1375541-21-1

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

Identification

英文名 Ubrogepant Impurity 1
分子结构
CAS编号 1375541-21-1
EINECS Number
MDL Number
Beilstein Registry Number
别名 (S)-2′-Oxo-1′,2′,5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3′-pyrrolo[2,3-b]pyridine]-3-carboxylic acid
分子式 C15H11N3O3
分子量 281.3
InChI
InChI Key
Canonical SMILES OC(C1=CN=C(C[C@]2(C(C=CC=N3)=C3NC2=O)C4)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
Ubrogepant Impurity 1 is chemically (S)-2′-Oxo-1′,2′,5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3′-pyrrolo[2,3-b]pyridine]-3-carboxylic acid. Ubrogepant Impurity 1 is supplied with detailed characterization data compliant with regulatory guideline. Ubrogepant 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 Ubrogepant. 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.

Ubrogepant Impurity 3 CAS#: N/A

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

Identification

英文名 Ubrogepant Impurity 3
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (S)-N-((3S,5S,6R)-6-Methyl-2-oxo-5-phenylpiperidin-3-yl)-2′-oxo-1′,2′,5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3′-pyrrolo[2,3-b]pyridine]-3-carboxamide
分子式 C27H25N5O3
分子量 467.5
InChI
InChI Key
Canonical SMILES C[C@H]([C@@H](C[C@@H]1NC(C2=CN=C3C(C[C@@]4(C(C=CC=N5)=C5NC4=O)C3)=C2)=O)C6=CC=CC=C6)NC1=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
Ubrogepant Impurity 3 is chemically (S)-N-((3S,5S,6R)-6-Methyl-2-oxo-5-phenylpiperidin-3-yl)-2′-oxo-1′,2′,5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3′-pyrrolo[2,3-b]pyridine]-3-carboxamide. Ubrogepant Impurity 3 is supplied with detailed characterization data compliant with regulatory guideline. Ubrogepant Impurity 3 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 Ubrogepant. 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.

Ubrogepant Impurity 5 CAS#: N/A

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

Identification

英文名 Ubrogepant Impurity 5
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (S)-N-((3R,5S,6R)-6-Methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl)-2′-oxo-1′,2′,5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3′-pyrrolo[2,3-b]pyridine]-3-carboxamide
分子式 C29H26F3N5O3
分子量 549.6
InChI
InChI Key
Canonical SMILES C[C@H]([C@@H](C[C@H]1NC(C2=CN=C3C(C[C@@]4(C(C=CC=N5)=C5NC4=O)C3)=C2)=O)C6=CC=CC=C6)N(CC(F)(F)F)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
Ubrogepant Impurity 5 is chemically (S)-N-((3R,5S,6R)-6-Methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl)-2′-oxo-1′,2′,5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3′-pyrrolo[2,3-b]pyridine]-3-carboxamide. Ubrogepant Impurity 5 is supplied with detailed characterization data compliant with regulatory guideline. Ubrogepant 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 Ubrogepant. 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.

Ubrogepant Impurity 2 CAS#: 1456803-39-6

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

Identification

英文名 Ubrogepant Impurity 2
分子结构
CAS编号 1456803-39-6
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3S,5S,6R)-6-Methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-aminium 4-methylbenzoate
分子式 C14H18F3N2O : C8H7O2
分子量 287.3 : 135.1
InChI
InChI Key
Canonical SMILES [NH3+][C@@H]1C(N(CC(F)(F)F)[C@H](C)[C@H](C2=CC=CC=C2)C1)=O.O=C([O-])C3=CC=C(C)C=C3

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 1375794-69-6 (free base)
Use Pattern
Ubrogepant Impurity 2 is chemically (3S,5S,6R)-6-Methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-aminium 4-methylbenzoate. Ubrogepant Impurity 2 is supplied with detailed characterization data compliant with regulatory guideline. Ubrogepant 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 Ubrogepant. 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.

Ubrogepant CAS#: 1374248-77-7

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

Identification

英文名 Ubrogepant
分子结构
CAS编号 1374248-77-7
EINECS Number
MDL Number
Beilstein Registry Number
别名 (S)-N-((3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl)-2′-oxo-1′,2′,5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3′-pyrrolo[2,3-b]pyridine]-3-carboxamide
分子式 C29H26F3N5O3
分子量 549.6
InChI
InChI Key
Canonical SMILES O=C(C1=CN=C2C(C[C@@]3(C4=CC=CN=C4NC3=O)C2)=C1)N[C@@H]5C(N(CC(F)(F)F)[C@H](C)[C@H](C6=CC=CC=C6)C5)=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
Ubrogepant is chemically (S)-N-((3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl)-2′-oxo-1′,2′,5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3′-pyrrolo[2,3-b]pyridine]-3-carboxamide. Ubrogepant is supplied with detailed characterization data compliant with regulatory guideline. Ubrogepant 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 Ubrogepant. 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.

Ubrogepant Impurity 4 CAS#: N/A

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

Identification

英文名 Ubrogepant Impurity 4
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 4-Methyl-N-((3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl)benzamide
分子式 C22H23F3N2O2
分子量 404.4
InChI
InChI Key
Canonical SMILES C[C@H]([C@@H](C[C@@H]1NC(C2=CC=C(C)C=C2)=O)C3=CC=CC=C3)N(CC(F)(F)F)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
Ubrogepant Impurity 4 is chemically 4-Methyl-N-((3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl)benzamide. Ubrogepant Impurity 4 is supplied with detailed characterization data compliant with regulatory guideline. Ubrogepant Impurity 4 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 Ubrogepant. 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.

Ubrogepant D5 CAS#: N/A

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

Identification

英文名 Ubrogepant D5
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (S)-N-((3S,5S,6R)-6-Methyl-2-oxo-5-(phenyl-d5)-1-(2,2,2-trifluoroethyl)piperidin-3-yl)-2′-oxo-1′,2′,5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3′-pyrrolo[2,3-b]pyridine]-3-carboxamide
分子式 C29H21D5F3N5O3
分子量 554.6
InChI
InChI Key
Canonical SMILES O=C(C1=CN=C2C(C[C@@]3(C4=CC=CN=C4NC3=O)C2)=C1)N[C@@H]5C(N(CC(F)(F)F)[C@H](C)[C@H](C6=C([2H])C([2H])=C([2H])C([2H])=C6[2H])C5)=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
Ubrogepant D5 is chemically (S)-N-((3S,5S,6R)-6-Methyl-2-oxo-5-(phenyl-d5)-1-(2,2,2-trifluoroethyl)piperidin-3-yl)-2′-oxo-1′,2′,5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3′-pyrrolo[2,3-b]pyridine]-3-carboxamide. Ubrogepant D5 is supplied with detailed characterization data compliant with regulatory guideline. Ubrogepant 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 Ubrogepant. 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.