Escitalopram-D6 CAS#: 1092655-50-9

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

Identification

英文名 Escitalopram-D6
分子结构
CAS编号 1092655-50-9
EINECS Number
MDL Number
Beilstein Registry Number
别名 (S)-1-(3-(bis(methyl-d3)amino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
分子式 C20H15D6FN2O
分子量 330.4
InChI
InChI Key
Canonical SMILES FC1=CC=C(C=C1)[C@]2(CCCN(C([2H])([2H])[2H])C([2H])([2H])[2H])OCC3=C2C=CC(C#N)=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 1217733-09-9 (oxalate salt)
Use Pattern
Escitalopram-D6 is chemically (S)-1-(3-(bis(methyl-d3)amino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile. Escitalopram-D6 is supplied with detailed characterization data compliant with regulatory guideline. Escitalopram-D6 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 Escitalopram. 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.

5-Bromophthalide CAS#: 64169-34-2

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

Identification

英文名 5-Bromophthalide
分子结构
CAS编号 64169-34-2
EINECS Number
MDL Number
Beilstein Registry Number
别名 5-Bromoisobenzofuran-1(3H)-one
分子式 C8H5BrO2
分子量 213.0
InChI
InChI Key
Canonical SMILES O=C1OCC2=CC(Br)=CC=C12

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
5-Bromophthalide is chemically 5-Bromoisobenzofuran-1(3H)-one. 5-Bromophthalide is supplied with detailed characterization data compliant with regulatory guideline. 5-Bromophthalide 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 Escitalopram. 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.

Escitalopram Impurity 12 CAS#: 2173043-06-4

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

Identification

英文名 Escitalopram Impurity 12
分子结构
CAS编号 2173043-06-4
EINECS Number
MDL Number
Beilstein Registry Number
别名 (2S,3S)-4-((S)-1-(4-cyano-2-(hydroxymethyl)phenyl)-4-(dimethylamino)-1-(4-fluorophenyl)butoxy)-2-hydroxy-3-((4-methylbenzoyl)oxy)-4-oxobutanoic acid
分子式 C32H33FN2O8
分子量 592.6
InChI
InChI Key
Canonical SMILES O=C([C@H]([C@H](O)C(O)=O)OC(C(C=C1)=CC=C1C)=O)O[C@](C(C=CC(C#N)=C2)=C2CO)(C(C=C3)=CC=C3F)CCCN(C)C

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
Escitalopram Impurity 12 is chemically (2S,3S)-4-((S)-1-(4-cyano-2-(hydroxymethyl)phenyl)-4-(dimethylamino)-1-(4-fluorophenyl)butoxy)-2-hydroxy-3-((4-methylbenzoyl)oxy)-4-oxobutanoic acid. Escitalopram Impurity 12 is supplied with detailed characterization data compliant with regulatory guideline. Escitalopram Impurity 12 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 Escitalopram. 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.

Escitalopram Impurity 11 CAS#: 2173043-05-3

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

Identification

英文名 Escitalopram Impurity 11
分子结构
CAS编号 2173043-05-3
EINECS Number
MDL Number
Beilstein Registry Number
别名 (2S,3S)-4-((5-Cyano-2-((S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)benzyl)oxy)-2,3-bis((4-methylbenzoyl)oxy)-4-oxobutanoic acid
分子式 C40H39FN2O9
分子量 710.8
InChI
InChI Key
Canonical SMILES O[C@](C(C=CC(C#N)=C1)=C1COC([C@@H](OC(C(C=C2)=CC=C2C)=O)[C@@H](C(O)=O)OC(C(C=C3)=CC=C3C)=O)=O)(C(C=C4)=CC=C4F)CCCN(C)C

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
Escitalopram Impurity 11 is chemically (2S,3S)-4-((5-Cyano-2-((S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)benzyl)oxy)-2,3-bis((4-methylbenzoyl)oxy)-4-oxobutanoic acid. Escitalopram Impurity 11 is supplied with detailed characterization data compliant with regulatory guideline. Escitalopram 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 Escitalopram. 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.

N-Nitroso-Desmethyl-Escitalopram CAS#: N/A

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

Identification

英文名 N-Nitroso-Desmethyl-Escitalopram
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (S)-N-(3-(5-Cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)propyl)-N-methylnitrous amide
分子式 C19H18FN3O2
分子量 339.4
InChI
InChI Key
Canonical SMILES FC1=CC=C([C@]2(CCCN(C)N=O)OCC3=C2C=CC(C#N)=C3)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
N-Nitroso-Desmethyl-Escitalopram is chemically (S)-N-(3-(5-Cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)propyl)-N-methylnitrous amide. N-Nitroso-Desmethyl-Escitalopram is supplied with detailed characterization data compliant with regulatory guideline. N-Nitroso-Desmethyl-Escitalopram 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 Escitalopram. 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.

Escitalopram EP Impurity A CAS#: 64372-56-1

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

Identification

英文名 Escitalopram EP Impurity A
分子结构
CAS编号 64372-56-1
EINECS Number
MDL Number
Beilstein Registry Number
别名 (1RS)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
分子式 C20H23FN2O2
分子量 342.4
InChI
InChI Key
Canonical SMILES CN(C)CCC[C@]1(C2=CC=C(F)C=C2)OCC3=C1C=CC(C(N)=O)=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
Escitalopram EP Impurity A is chemically (1RS)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide. Escitalopram EP Impurity A is supplied with detailed characterization data compliant with regulatory guideline. Escitalopram EP Impurity A 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 Escitalopram. 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.

Escitalopram EP Impurity C CAS#: 372941-54-3

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

Identification

英文名 Escitalopram EP Impurity C
分子结构
CAS编号 372941-54-3
EINECS Number
MDL Number
Beilstein Registry Number
别名 (1RS)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-3-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile
分子式 C20H19FN2O2
分子量 338.4
InChI
InChI Key
Canonical SMILES CN(C)CCC[C@]1(C2=CC=C(F)C=C2)OC(C3=C1C=CC(C#N)=C3)=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
Escitalopram EP Impurity C is chemically (1RS)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-3-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile. Escitalopram EP Impurity C is supplied with detailed characterization data compliant with regulatory guideline. Escitalopram EP Impurity C 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 Escitalopram. 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.

5-chloro phthalide CAS#: 54109-03-4

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

Identification

英文名 5-chloro phthalide
分子结构
CAS编号 54109-03-4
EINECS Number
MDL Number
Beilstein Registry Number
别名 5-Chloroisobenzofuran-1(3H)-one
分子式 C8H5ClO2
分子量 168.6
InChI
InChI Key
Canonical SMILES O=C1C(C=CC(Cl)=C2)=C2CO1

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
5-chloro phthalide is chemically 5-Chloroisobenzofuran-1(3H)-one. 5-chloro phthalide is supplied with detailed characterization data compliant with regulatory guideline. 5-chloro phthalide 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 Escitalopram. 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.

N-Nitroso Escitalopram EP Impurity D CAS#: N/A

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

Identification

英文名 N-Nitroso Escitalopram EP Impurity D
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 N-(3-(5-Cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)propyl)-N-methylnitrous amide
分子式 C19H18FN3O2
分子量 339.4
InChI
InChI Key
Canonical SMILES CN(N=O)CCCC1(C2=CC=C(F)C=C2)C(C=CC(C#N)=C3)=C3CO1

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
N-Nitroso Escitalopram EP Impurity D is chemically N-(3-(5-Cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)propyl)-N-methylnitrous amide. It is also known as N-Nitroso N-Desmethyl Citalopram. N-Nitroso Escitalopram EP Impurity D is supplied with detailed characterization data compliant with regulatory guideline. N-Nitroso Escitalopram EP Impurity D 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 Escitalopram. 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.

Escitalopram USP Related Compound A CAS#: 128173-53-5

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

Identification

英文名 Escitalopram USP Related Compound A
分子结构
CAS编号 128173-53-5
EINECS Number
MDL Number
Beilstein Registry Number
别名 (S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile Di-p-toluoyl-D-tartrate Salt (2:1)
分子式 C20H23FN2O2 : 1/2(C20H18O8)
分子量 342.4 : 1/2(386.4)
InChI
InChI Key
Canonical SMILES O[C@](C(C=CC(C#N)=C1)=C1CO)(C2=CC=C(F)C=C2)CCCN(C)C.OC([C@@H](OC(C3=CC=C(C)C=C3)=O)[C@@H](C(O)=O)OC(C4=CC=C(C)C=C4)=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
Escitalopram USP Related Compound A is chemically (S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile Di-p-toluoyl-D-tartrate Salt (2:1). Escitalopram USP Related Compound A is supplied with detailed characterization data compliant with regulatory guideline. Escitalopram USP Related Compound A 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 Escitalopram. 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.