Tolcapone D4 CAS#: 1246816-93-2

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

Identification

英文名 Tolcapone D4
分子结构
CAS编号 1246816-93-2
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl-2,3,5,6-d4)methanone
分子式 C14H7D4NO5
分子量 277.3
InChI
InChI Key
Canonical SMILES O=C(C(C([2H])=C1[2H])=C(C([2H])=C1C)[2H])C2=CC([N](=O)=O)=C(O)C(O)=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
Tolcapone D4 is chemically (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl-2,3,5,6-d4)methanone. Tolcapone D4 is supplied with detailed characterization data compliant with regulatory guideline. Tolcapone 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 Tolcapone. 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.

Tolcapone D7 CAS#: 2749285-04-7

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

Identification

英文名 Tolcapone D7
分子结构
CAS编号 2749285-04-7
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3,4-dihydroxy-5-nitrophenyl)(4-(methyl-d3)phenyl-2,3,5,6-d4)methanone
分子式 C14H4D7NO5
分子量 280.3
InChI
InChI Key
Canonical SMILES O=C(C1=C([2H])C([2H])=C(C([2H])([2H])[2H])C([2H])=C1[2H])C2=CC([N](=O)=O)=C(O)C(O)=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
Tolcapone D7 is chemically (3,4-dihydroxy-5-nitrophenyl)(4-(methyl-d3)phenyl-2,3,5,6-d4)methanone. Tolcapone D7 is supplied with detailed characterization data compliant with regulatory guideline. Tolcapone D7 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 Tolcapone. 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.

Tolcapone CAS#: 134308-13-7

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

Identification

英文名 Tolcapone
分子结构
CAS编号 134308-13-7
EINECS Number
MDL Number
Beilstein Registry Number
别名 3,4-dihydroxy-5-nitrophenyl)(p-tolyl)methanone
分子式 C14H11NO5
分子量 273.3
InChI
InChI Key
Canonical SMILES O=C(C1=CC=C(C)C=C1)C2=CC([N](=O)=O)=C(O)C(O)=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
Tolcapone is chemically 3,4-dihydroxy-5-nitrophenyl)(p-tolyl)methanone. Tolcapone is supplied with detailed characterization data compliant with regulatory guideline. Tolcapone 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 Tolcapone. 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.

Tolcapone USP Related Compound B CAS#: 134612-80-9

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

Identification

英文名 Tolcapone USP Related Compound B
分子结构
CAS编号 134612-80-9
EINECS Number
MDL Number
Beilstein Registry Number
别名 4-Hydroxy-3-methoxy-4’-methyl-5-nitrobenzophenone (as per USP)
分子式 C15H13NO5
分子量 287.3
InChI
InChI Key
Canonical SMILES O=C(C1=CC=C(C)C=C1)C2=CC([N](=O)=O)=C(O)C(OC)=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
Tolcapone USP Related Compound B is chemically 4-Hydroxy-3-methoxy-4’-methyl-5-nitrobenzophenone (as per USP). It is also known as 3-O-Methyl Tolcapone. Tolcapone USP Related Compound B is supplied with detailed characterization data compliant with regulatory guideline. Tolcapone USP Related Compound B 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 Tolcapone. 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.

Tolcapone USP Related Compound A CAS#: 1391053-03-4

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

Identification

英文名 Tolcapone USP Related Compound A
分子结构
CAS编号 1391053-03-4
EINECS Number
MDL Number
Beilstein Registry Number
别名 4′-Methyl-3,4-dihydroxybenzophenone (as per USP)
分子式 C14H12O3
分子量 228.3
InChI
InChI Key
Canonical SMILES O=C(C1=CC=C(C)C=C1)C2=CC(O)=C(O)C=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
Tolcapone USP Related Compound A is chemically 4′-Methyl-3,4-dihydroxybenzophenone (as per USP). It is also known as Denitro Tolcapone. Tolcapone USP Related Compound A is supplied with detailed characterization data compliant with regulatory guideline. Tolcapone 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 Tolcapone. 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.

Tolcapone Impurity 2 CAS#: 1187547-40-5

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

Identification

英文名 Tolcapone Impurity 2
分子结构
CAS编号 1187547-40-5
EINECS Number
MDL Number
Beilstein Registry Number
别名 2-hydroxy-5-(4-(hydroxymethyl)benzoyl)-3-nitrophenyl hydrogen sulfate
分子式 C14H11NO9S
分子量 369.3
InChI
InChI Key
Canonical SMILES O=C(C1=CC=C(CO)C=C1)C2=CC(OS(=O)(O)=O)=C(O)C([N+]([O-])=O)=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
Tolcapone Impurity 2 is chemically 2-hydroxy-5-(4-(hydroxymethyl)benzoyl)-3-nitrophenyl hydrogen sulfate. Tolcapone Impurity 2 is supplied with detailed characterization data compliant with regulatory guideline. Tolcapone 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 Tolcapone. 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.

Tolcapone Impurity 1 CAS#: 1187547-38-1

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

Identification

英文名 Tolcapone Impurity 1
分子结构
CAS编号 1187547-38-1
EINECS Number
MDL Number
Beilstein Registry Number
别名 2-hydroxy-5-(4-methylbenzoyl)-3-nitrophenyl hydrogen sulfate
分子式 C14H11NO8S
分子量 353.3
InChI
InChI Key
Canonical SMILES O=C(C1=CC=C(C)C=C1)C2=CC(OS(=O)(O)=O)=C(O)C([N+]([O-])=O)=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
Tolcapone Impurity 1 is chemically 2-hydroxy-5-(4-methylbenzoyl)-3-nitrophenyl hydrogen sulfate. Tolcapone Impurity 1 is supplied with detailed characterization data compliant with regulatory guideline. Tolcapone 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 Tolcapone. 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.

Tolcapone Impurity 3 CAS#: 254902-29-9

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

Identification

英文名 Tolcapone Impurity 3
分子结构
CAS编号 254902-29-9
EINECS Number
MDL Number
Beilstein Registry Number
别名 3-amino-2-hydroxy-5-(4-methylbenzoyl)phenyl hydrogen sulfate
分子式 C14H13NO6S
分子量 323.3
InChI
InChI Key
Canonical SMILES O=C(C1=CC=C(C)C=C1)C2=CC(OS(=O)(O)=O)=C(O)C(N)=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
Tolcapone Impurity 3 is chemically 3-amino-2-hydroxy-5-(4-methylbenzoyl)phenyl hydrogen sulfate. Tolcapone Impurity 3 is supplied with detailed characterization data compliant with regulatory guideline. Tolcapone 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 Tolcapone. 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.

Tolcapone 3-beta-D-Glucuronide CAS#: 204853-33-8

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

Identification

英文名 Tolcapone 3-beta-D-Glucuronide
分子结构
CAS编号 204853-33-8
EINECS Number
MDL Number
Beilstein Registry Number
别名 (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-5-(4-methylbenzoyl)-3-nitrophenoxy)tetrahydro-2H-pyran-2-carboxylic acid
分子式 C20H19NO11
分子量 449.4
InChI
InChI Key
Canonical SMILES OC1=C([N](=O)=O)C=C(C(C2=CC=C(C)C=C2)=O)C=C1O[C@@H]([C@@H]([C@@H](O)[C@@H]3O)O)O[C@@H]3C(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
Tolcapone 3-beta-D-Glucuronide is chemically (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-5-(4-methylbenzoyl)-3-nitrophenoxy)tetrahydro-2H-pyran-2-carboxylic acid. Tolcapone 3-beta-D-Glucuronide is supplied with detailed characterization data compliant with regulatory guideline. Tolcapone 3-beta-D-Glucuronide 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 Tolcapone. 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.