Citalopram • ChemWhat中文网 | 凯望化学与生物数据库

Citalopram CAS#: 59729-33-8

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	85118-27-0 (HCl salt) ; 59729-32-7 (hydrobromide salt)

Use Pattern

Citalopram is chemically 1-(3-(Dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile. Citalopram is supplied with detailed characterization data compliant with regulatory guideline. Citalopram 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 Citalopram. 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.

Citalopram Impurity 20 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	2847776-07-0 (free base) ; 2847776-08-1 (bromide)

Use Pattern

Citalopram Impurity 20 is chemically N-(chloromethyl)-3-(5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-aminium chloride. Citalopram Impurity 20 is supplied with detailed characterization data compliant with regulatory guideline. Citalopram Impurity 20 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 Citalopram. 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.

Citalopram EP Impurity E (Oxalate salt) CAS#: 1329612-81-8

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	64169-45-5 (free base) ; 1332724-08-9 (HBr salt)

Use Pattern

Citalopram EP Impurity E (Oxalate salt) is chemically 3-[(1RS)-5-chloro-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl]-N,N-dimethylpropan-1-amine oxalate (as per EP). It is also known as Citalopram USP Related Compound G ; Citalopram 5-Chloro Analog oxalate. Citalopram EP Impurity E (Oxalate salt) is supplied with detailed characterization data compliant with regulatory guideline. Citalopram EP Impurity E (Oxalate salt) 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 Citalopram. 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.

(S)-Didemethyl Citalopram CAS#: 166037-78-1

By great_watson-int, 6th 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

(S)-Didemethyl Citalopram is chemically (S)-1-(3-Aminopropyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile. (S)-Didemethyl Citalopram is supplied with detailed characterization data compliant with regulatory guideline. (S)-Didemethyl Citalopram 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 Citalopram. 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.

Citalopram Descyano Impurity CAS#: 390817-87-5

By great_watson-int, 6th 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

Citalopram Descyano Impurity is chemically 3-(1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine. Citalopram Descyano Impurity is supplied with detailed characterization data compliant with regulatory guideline. Citalopram Descyano 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 Citalopram. 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.

Citalopram Impurity 17 CAS#: N/A

By great_watson-int, 6th 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

Citalopram Impurity 17 is chemically 1-(3-(Dimethylamino)propyl)-1-(4′-fluoro-[1,1′-biphenyl]-4-yl)-1,3-dihydroisobenzofuran-5-carbonitrile. Citalopram Impurity 17 is supplied with detailed characterization data compliant with regulatory guideline. Citalopram Impurity 17 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 Citalopram. 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.

Citalopram R-Isomer CAS#: 128196-02-1

By great_watson-int, 6th 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	219861-53-7 (oxalate salt)

Use Pattern

Citalopram R-Isomer is chemically (R)-(-)-1-(3-Dimethylaminopropyl)-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran-5-carbonitrile. Citalopram R-Isomer is supplied with detailed characterization data compliant with regulatory guideline. Citalopram R-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 Citalopram. 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.

Citalopram Diol-Desfluoro Impurity CAS#: 1187671-15-3

By great_watson-int, 6th 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	1187582-64-4 (HBr salt)

Use Pattern

Citalopram Diol-Desfluoro Impurity is chemically 4-(4-(Dimethylamino)-1-hydroxy-1-phenylbutyl)-3-(hydroxymethyl)benzonitrile. Citalopram Diol-Desfluoro Impurity is supplied with detailed characterization data compliant with regulatory guideline. Citalopram Diol-Desfluoro 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 Citalopram. 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.

Citalopram Impurity 18 CAS#: 1370643-23-4

By great_watson-int, 6th 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

Citalopram Impurity 18 is chemically (E)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)but-1-en-1-yl)-3-(hydroxymethyl)benzonitrile. Citalopram Impurity 18 is supplied with detailed characterization data compliant with regulatory guideline. Citalopram Impurity 18 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 Citalopram. 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.

Citalopram D6 CAS#: 1190003-26-9

By great_watson-int, 6th 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	2119948-08-0 (HBr salt)

Use Pattern

Citalopram D6 is chemically 1-(3-(Bis(methyl-d3)amino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile. Citalopram D6 is supplied with detailed characterization data compliant with regulatory guideline. Citalopram 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 Citalopram. 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	Citalopram
分子结构
CAS编号	59729-33-8
EINECS Number
MDL Number
Beilstein Registry Number
别名	1-(3-(Dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
分子式	C20H21FN2O
分子量	324.4
InChI
InChI Key
Canonical SMILES	CN(C)CCCC1(C2=CC=C(F)C=C2)C(C=CC(C#N)=C3)=C3CO1

英文名	Citalopram Impurity 20
分子结构
CAS编号	N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名	N-(chloromethyl)-3-(5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-aminium chloride
分子式	C21H23ClFN2O : Cl
分子量	373.9 : 35.5
InChI
InChI Key
Canonical SMILES	C[N+](C)(CCl)CCCC(OC1)(C2=CC=C(F)C=C2)C3=C1C=C(C#N)C=C3.[Cl-]

英文名	Citalopram EP Impurity E (Oxalate salt)
分子结构
CAS编号	1329612-81-8
EINECS Number
MDL Number
Beilstein Registry Number
别名	3-[(1RS)-5-chloro-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl]-N,N-dimethylpropan-1-amine oxalate (as per EP)
分子式	C19H21ClFNO : C2H2O4
分子量	333.8 : 90.0
InChI
InChI Key
Canonical SMILES	CN(C)CCCC1(C2=CC=C(F)C=C2)C(C=CC(Cl)=C3)=C3CO1.OC(C(O)=O)=O

英文名	(S)-Didemethyl Citalopram
分子结构
CAS编号	166037-78-1
EINECS Number
MDL Number
Beilstein Registry Number
别名	(S)-1-(3-Aminopropyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
分子式	C18H17FN2O
分子量	296.3
InChI
InChI Key
Canonical SMILES	NCCC[C@]1(C2=CC=C(F)C=C2)C(C=CC(C#N)=C3)=C3CO1

英文名	Citalopram Descyano Impurity
分子结构
CAS编号	390817-87-5
EINECS Number
MDL Number
Beilstein Registry Number
别名	3-(1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine
分子式	C19H22FNO
分子量	299.4
InChI
InChI Key
Canonical SMILES	CN(C)CCCC1(C2=CC=C(F)C=C2)OCC3=C1C=CC=C3

英文名	Citalopram Impurity 17
分子结构
CAS编号	N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名	1-(3-(Dimethylamino)propyl)-1-(4′-fluoro-[1,1′-biphenyl]-4-yl)-1,3-dihydroisobenzofuran-5-carbonitrile
分子式	C26H25FN2O
分子量	400.5
InChI
InChI Key
Canonical SMILES	N#CC1=CC=C(C(C2=CC=C(C3=CC=C(F)C=C3)C=C2)(CCCN(C)C)OC4)C4=C1

英文名	Citalopram R-Isomer
分子结构
CAS编号	128196-02-1
EINECS Number
MDL Number
Beilstein Registry Number
别名	(R)-(-)-1-(3-Dimethylaminopropyl)-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran-5-carbonitrile
分子式	C20H21FN2O
分子量	324.4
InChI
InChI Key
Canonical SMILES	N#CC1=CC(CO[C@]2(CCCN(C)C)C3=CC=C(F)C=C3)=C2C=C1

英文名	Citalopram Diol-Desfluoro Impurity
分子结构
CAS编号	1187671-15-3
EINECS Number
MDL Number
Beilstein Registry Number
别名	4-(4-(Dimethylamino)-1-hydroxy-1-phenylbutyl)-3-(hydroxymethyl)benzonitrile
分子式	C20H24N2O2
分子量	324.4
InChI
InChI Key
Canonical SMILES	OCC(C=C(C#N)C=C1)=C1C(CCCN(C)C)(O)C2=CC=CC=C2

英文名	Citalopram Impurity 18
分子结构
CAS编号	1370643-23-4
EINECS Number
MDL Number
Beilstein Registry Number
别名	(E)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)but-1-en-1-yl)-3-(hydroxymethyl)benzonitrile
分子式	C20H21FN2O
分子量	324.4
InChI
InChI Key
Canonical SMILES	OCC1=C(C=CC(C#N)=C1)/C(C2=CC=C(F)C=C2)=C/CCN(C)C

英文名	Citalopram D6
分子结构
CAS编号	1190003-26-9
EINECS Number
MDL Number
Beilstein Registry Number
别名	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)C2(C3=CC=C(C#N)C=C3CO2)CCCN(C([2H])([2H])[2H])C([2H])([2H])[2H]