Upadacitinib Impurity 11 CAS#: N/A

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

Identification

英文名 Upadacitinib Impurity 11
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 Bis(5-tosyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)amine
分子式 C26H21N7O4S2
分子量 559.6
InChI
InChI Key
Canonical SMILES O=S(N1C=CC2=NC(NC3=CN=C(N(S(=O)(C4=CC=C(C)C=C4)=O)C=C5)C5=N3)=CN=C21)(C6=CC=C(C)C=C6)=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
Upadacitinib Impurity 11 is chemically Bis(5-tosyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)amine. Upadacitinib Impurity 11 is supplied with detailed characterization data compliant with regulatory guideline. Upadacitinib Impurity 11 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 Upadacitinib. 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.

Upadacitinib Nitroso 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 Upadacitinib Nitroso Impurity 2
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (S)-N-Ethyl-3-(3-nitroso-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
分子式 C17H18F3N7O2
分子量 409.4
InChI
InChI Key
Canonical SMILES O=C(N1CC[C@H](C2=CN=C3C=NC(N(N=O)C=C4)=C4N32)C1)N(CC)CC(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
Upadacitinib Nitroso Impurity 2 is chemically (S)-N-Ethyl-3-(3-nitroso-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide. Upadacitinib Nitroso Impurity 2 is supplied with detailed characterization data compliant with regulatory guideline. Upadacitinib Nitroso 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 Upadacitinib. 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.

Upadacitinib 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 Upadacitinib Impurity 5
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3R,4R)-3-Ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
分子式 C17H19F3N6O
分子量 380.4
InChI
InChI Key
Canonical SMILES O=C(N1C[C@H](CC)[C@@H](C2=CN=C3C=NC(NC=C4)=C4N32)C1)NCC(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
Upadacitinib Impurity 5 is chemically (3R,4R)-3-Ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide. Upadacitinib Impurity 5 is supplied with detailed characterization data compliant with regulatory guideline. Upadacitinib 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 Upadacitinib. 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.

Upadacitinib Enantiomer CAS#: 1310726-59-0

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

Identification

英文名 Upadacitinib Enantiomer
分子结构
CAS编号 1310726-59-0
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3R,4S)-3-Ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
分子式 C17H19F3N6O
分子量 380.4
InChI
InChI Key
Canonical SMILES CC[C@@H](CN(C(NCC(F)(F)F)=O)C1)[C@@H]1C2=CN=C3N2C(C=CN4)=C4N=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
Use Pattern
Upadacitinib Enantiomer is chemically (3R,4S)-3-Ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide. Upadacitinib Enantiomer is supplied with detailed characterization data compliant with regulatory guideline. Upadacitinib Enantiomer 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 Upadacitinib. 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.

Upadacitinib Impurity 14 CAS#: 2715120-86-6

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

Identification

英文名 Upadacitinib Impurity 14
分子结构
CAS编号 2715120-86-6
EINECS Number
MDL Number
Beilstein Registry Number
别名 8-((3R,4S)-4-Ethyl-1-((2,2,2-trifluoroethyl)carbamoyl)pyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine-3-carboxamide
分子式 C20H21F6N7O2
分子量 505.4
InChI
InChI Key
Canonical SMILES O=C(N1C=CC2=C1N=CC3=NC=C([C@H]4CN(C(NCC(F)(F)F)=O)C[C@H]4CC)N32)NCC(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
Upadacitinib Impurity 14 is chemically 8-((3R,4S)-4-Ethyl-1-((2,2,2-trifluoroethyl)carbamoyl)pyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine-3-carboxamide. Upadacitinib Impurity 14 is supplied with detailed characterization data compliant with regulatory guideline. Upadacitinib Impurity 14 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 Upadacitinib. 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.

Upadacitinib D4 CAS#: N/A

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

Identification

英文名 Upadacitinib D4
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3S,4R)-3-Ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl-1,2,5,7-d4)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
分子式 C17H15D4F3N6O
分子量 384.4
InChI
InChI Key
Canonical SMILES CC[C@H](CN(C(NCC(F)(F)F)=O)C1)[C@H]1C2=C([2H])N=C3N2C(C([2H])=C([2H])N4)=C4N=C3[2H]

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
Upadacitinib D4 is chemically (3S,4R)-3-Ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl-1,2,5,7-d4)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide. Upadacitinib D4 is supplied with detailed characterization data compliant with regulatory guideline. Upadacitinib D4 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 Upadacitinib. 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.

Upadacitinib Impurity 15 CAS#: N/A

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

Identification

英文名 Upadacitinib Impurity 15
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3R,4S)-3-Ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide compound with (3S,4R)-3-ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (1:1)
分子式 C17H19F3N6O
分子量 380.4
InChI
InChI Key
Canonical SMILES CC[C@@H](CN(C(NCC(F)(F)F)=O)C1)[C@@H]1C2=CN=C3N2C(C=CN4)=C4N=C3.CC[C@H](CN(C(NCC(F)(F)F)=O)C5)[C@H]5C6=CN=C7N6C(C=CN8)=C8N=C7

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
Upadacitinib Impurity 15 is chemically (3R,4S)-3-Ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide compound with (3S,4R)-3-ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (1:1). Upadacitinib Impurity 15 is supplied with detailed characterization data compliant with regulatory guideline. Upadacitinib Impurity 15 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 Upadacitinib. 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.

Upadacitinib Impurity 16 CAS#: 1428243-24-6

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

Identification

英文名 Upadacitinib Impurity 16
分子结构
CAS编号 1428243-24-6
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3R,4S)-1-((Benzyloxy)carbonyl)-4-ethylpyrrolidine-3-carboxylic acid
分子式 C15H19NO4
分子量 277.3
InChI
InChI Key
Canonical SMILES O=C(N(C[C@H]1CC)C[C@@H]1C(O)=O)OCC2=CC=CC=C2

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
Upadacitinib Impurity 16 is chemically (3R,4S)-1-((Benzyloxy)carbonyl)-4-ethylpyrrolidine-3-carboxylic acid. Upadacitinib Impurity 16 is supplied with detailed characterization data compliant with regulatory guideline. Upadacitinib Impurity 16 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 Upadacitinib. 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.

Upadacitinib Impurity 8 CAS#: 2460133-49-5

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

Identification

英文名 Upadacitinib Impurity 8
分子结构
CAS编号 2460133-49-5
EINECS Number
MDL Number
Beilstein Registry Number
别名 Benzyl (3R,4S)-3-(2-chloroacetyl)-4-ethylpyrrolidine-1-carboxylate
分子式 C16H20ClNO3
分子量 309.8
InChI
InChI Key
Canonical SMILES O=C(N1C[C@H](C(CCl)=O)[C@H](CC)C1)OCC2=CC=CC=C2

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
Upadacitinib Impurity 8 is chemically Benzyl (3R,4S)-3-(2-chloroacetyl)-4-ethylpyrrolidine-1-carboxylate. Upadacitinib Impurity 8 is supplied with detailed characterization data compliant with regulatory guideline. Upadacitinib Impurity 8 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 Upadacitinib. 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.

Upadacitinib Impurity 10 CAS#: 2304514-69-8

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

Identification

英文名 Upadacitinib Impurity 10
分子结构
CAS编号 2304514-69-8
EINECS Number
MDL Number
Beilstein Registry Number
别名 Benzyl (3S,4R)-3-(2-bromoacetyl)-4-ethylpyrrolidine-1-carboxylate
分子式 C16H20BrNO3
分子量 354.2
InChI
InChI Key
Canonical SMILES O=C(N1C[C@@H](C(CBr)=O)[C@@H](CC)C1)OCC2=CC=CC=C2

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
Upadacitinib Impurity 10 is chemically Benzyl (3S,4R)-3-(2-bromoacetyl)-4-ethylpyrrolidine-1-carboxylate. Upadacitinib Impurity 10 is supplied with detailed characterization data compliant with regulatory guideline. Upadacitinib Impurity 10 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 Upadacitinib. 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.