Siponimod • ChemWhat中文网 | 凯望化学与生物数据库

Siponimod Impurity 53 CAS#: N/A

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

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

Siponimod Impurity 53 is chemically (E)-1-(3-ethyl-4-methylphenyl)ethan-1-one O-(4-cyclohexyl-3-(trifluoromethyl)benzyl) oxime. Siponimod Impurity 53 is supplied with detailed characterization data compliant with regulatory guideline. Siponimod Impurity 53 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 Siponimod. 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.

Siponimod Impurity 45 CAS#: 2474774-17-7

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

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

Siponimod Impurity 45 is chemically 1-(4-Acetyl-2-ethylbenzyl)azetidine-3-carboxylic acid. Siponimod Impurity 45 is supplied with detailed characterization data compliant with regulatory guideline. Siponimod Impurity 45 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 Siponimod. 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.

Siponimod-D5 CAS#: 2104759-51-3

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

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

Siponimod-D5 is chemically (E)-1-(4-(1-(((4-Cyclohexyl-3-(trifluoromethyl)phenyl)methoxy-d2)imino)ethyl-2,2,2-d3)-2-ethylbenzyl)azetidine-3-carboxylic acid. Siponimod-D5 is supplied with detailed characterization data compliant with regulatory guideline. Siponimod-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 Siponimod. 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.

Siponimod Z Isomer CAS#: 2768181-14-0

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

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

Siponimod Z Isomer is chemically (Z)-1-(4-(1-(((4-Cyclohexyl-3-(trifluoromethyl)benzyl)oxy)imino)ethyl)-2-ethylbenzyl)azetidine-3-carboxylic acid. Siponimod Z Isomer is supplied with detailed characterization data compliant with regulatory guideline. Siponimod Z 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 Siponimod. 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.

Siponimod Impurity 26 CAS#: 1449293-47-3

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

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

Siponimod Impurity 26 is chemically 4′-(Bromomethyl)-2′-(trifluoromethyl)-2,3,4,5-tetrahydro-1,1′-biphenyl. Siponimod Impurity 26 is supplied with detailed characterization data compliant with regulatory guideline. Siponimod Impurity 26 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 Siponimod. 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.

Siponimod Impurity 24 CAS#: 1449293-48-4

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

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

Siponimod Impurity 24 is chemically 1-Cyclohexyl-4-methyl-2-(trifluoromethyl)benzene. Siponimod Impurity 24 is supplied with detailed characterization data compliant with regulatory guideline. Siponimod Impurity 24 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 Siponimod. 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.

Siponimod Impurity 50 CAS#: N/A

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

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

Siponimod Impurity 50 is chemically (E)-1-(3-Bromo-4-(hydroxymethyl)phenyl)ethan-1-one O-(4-cyclohexyl-3-(trifluoromethyl)benzyl) oxime. Siponimod Impurity 50 is supplied with detailed characterization data compliant with regulatory guideline. Siponimod Impurity 50 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 Siponimod. 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.

Siponimod Impurity 52 CAS#: 36476-80-9

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

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

Siponimod Impurity 52 is chemically 1-Benzhydrylazetidin-3-yl 4-methylbenzenesulfonate. Siponimod Impurity 52 is supplied with detailed characterization data compliant with regulatory guideline. Siponimod Impurity 52 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 Siponimod. 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.

Siponimod Impurity 46 CAS#: N/A

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

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

Siponimod Impurity 46 is chemically 4-Cyclohexyl-3-(trifluoromethyl)benzyl 4-cyclohexyl-3-(trifluoromethyl)benzoate. Siponimod Impurity 46 is supplied with detailed characterization data compliant with regulatory guideline. Siponimod Impurity 46 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 Siponimod. 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.

Siponimod Impurity 43 CAS#: N/A

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

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

Siponimod Impurity 43 is chemically (Z)-3-((4-(1-(((4-Cyclohexyl-3-(trifluoromethyl)benzyl)oxy)imino)ethyl)-2-ethylbenzyl)amino)-2-(hydroxymethyl)propanoic acid. Siponimod Impurity 43 is supplied with detailed characterization data compliant with regulatory guideline. Siponimod Impurity 43 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 Siponimod. 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.

英文名	Siponimod Impurity 53
分子结构
CAS编号	N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名	(E)-1-(3-ethyl-4-methylphenyl)ethan-1-one O-(4-cyclohexyl-3-(trifluoromethyl)benzyl) oxime
分子式	C25H30F3NO
分子量	417.5
InChI
InChI Key
Canonical SMILES	C/C(C1=CC=C(C)C(CC)=C1)=NOCC2=CC=C(C3CCCCC3)C(C(F)(F)F)=C2

英文名	Siponimod Impurity 45
分子结构
CAS编号	2474774-17-7
EINECS Number
MDL Number
Beilstein Registry Number
别名	1-(4-Acetyl-2-ethylbenzyl)azetidine-3-carboxylic acid
分子式	C15H19NO3
分子量	261.3
InChI
InChI Key
Canonical SMILES	O=C(C1CN(CC2=CC=C(C(C)=O)C=C2CC)C1)O

英文名	Siponimod-D5
分子结构
CAS编号	2104759-51-3
EINECS Number
MDL Number
Beilstein Registry Number
别名	(E)-1-(4-(1-(((4-Cyclohexyl-3-(trifluoromethyl)phenyl)methoxy-d2)imino)ethyl-2,2,2-d3)-2-ethylbenzyl)azetidine-3-carboxylic acid
分子式	C29H30D5F3N2O3
分子量	521.6
InChI
InChI Key
Canonical SMILES	FC(F)(C1=C(C2CCCCC2)C=CC(C([2H])([2H])O/N=C(C3=CC(CC)=C(CN4CC(C(O)=O)C4)C=C3)C([2H])([2H])[2H])=C1)F

英文名	Siponimod Z Isomer
分子结构
CAS编号	2768181-14-0
EINECS Number
MDL Number
Beilstein Registry Number
别名	(Z)-1-(4-(1-(((4-Cyclohexyl-3-(trifluoromethyl)benzyl)oxy)imino)ethyl)-2-ethylbenzyl)azetidine-3-carboxylic acid
分子式	C29H35F3N2O3
分子量	516.6
InChI
InChI Key
Canonical SMILES	FC(F)(F)C1=CC(CO/N=C(C2=CC=C(CN3CC(C(O)=O)C3)C(CC)=C2)/C)=CC=C1C4CCCCC4

英文名	Siponimod Impurity 26
分子结构
CAS编号	1449293-47-3
EINECS Number
MDL Number
Beilstein Registry Number
别名	4′-(Bromomethyl)-2′-(trifluoromethyl)-2,3,4,5-tetrahydro-1,1′-biphenyl
分子式	C14H14BrF3
分子量	319.2
InChI
InChI Key
Canonical SMILES	FC(C1=CC(CBr)=CC=C1C2=CCCCC2)(F)F

英文名	Siponimod Impurity 24
分子结构
CAS编号	1449293-48-4
EINECS Number
MDL Number
Beilstein Registry Number
别名	1-Cyclohexyl-4-methyl-2-(trifluoromethyl)benzene
分子式	C14H17F3
分子量	242.3
InChI
InChI Key
Canonical SMILES	CC1=CC=C(C2CCCCC2)C(C(F)(F)F)=C1

英文名	Siponimod Impurity 50
分子结构
CAS编号	N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名	(E)-1-(3-Bromo-4-(hydroxymethyl)phenyl)ethan-1-one O-(4-cyclohexyl-3-(trifluoromethyl)benzyl) oxime
分子式	C23H25BrF3NO2
分子量	484.4
InChI
InChI Key
Canonical SMILES	C/C(C1=CC=C(CO)C(Br)=C1)=NOCC2=CC=C(C3CCCCC3)C(C(F)(F)F)=C2

英文名	Siponimod Impurity 52
分子结构
CAS编号	36476-80-9
EINECS Number
MDL Number
Beilstein Registry Number
别名	1-Benzhydrylazetidin-3-yl 4-methylbenzenesulfonate
分子式	C23H23NO3S
分子量	393.5
InChI
InChI Key
Canonical SMILES	O=S(C1=CC=C(C)C=C1)(OC2CN(C(C3=CC=CC=C3)C4=CC=CC=C4)C2)=O

英文名	Siponimod Impurity 46
分子结构
CAS编号	N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名	4-Cyclohexyl-3-(trifluoromethyl)benzyl 4-cyclohexyl-3-(trifluoromethyl)benzoate
分子式	C28H30F6O2
分子量	512.5
InChI
InChI Key
Canonical SMILES	O=C(OCC1=CC=C(C2CCCCC2)C(C(F)(F)F)=C1)C3=CC=C(C4CCCCC4)C(C(F)(F)F)=C3

英文名	Siponimod Impurity 43
分子结构
CAS编号	N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名	(Z)-3-((4-(1-(((4-Cyclohexyl-3-(trifluoromethyl)benzyl)oxy)imino)ethyl)-2-ethylbenzyl)amino)-2-(hydroxymethyl)propanoic acid
分子式	C29H37F3N2O4
分子量	534.6
InChI
InChI Key
Canonical SMILES	O=C(O)C(CO)CNCC1=CC=C(/C(C)=NOCC2=CC=C(C3CCCCC3)C(C(F)(F)F)=C2)C=C1CC