Caffeine • ChemWhat中文网 | 凯望化学与生物数据库

Dinitroso Caffeidine CAS#: 145438-97-7

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

Dinitroso Caffeidine is chemically N,1-Dimethyl-4-(methyl(nitroso)amino)-N-nitroso-1H-imidazole-5-carboxamide. Dinitroso Caffeidine is supplied with detailed characterization data compliant with regulatory guideline. Dinitroso Caffeidine 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 Caffeine. 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.

Theacrine CAS#: 2309-49-1

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

Theacrine is chemically 1,3,7,9-tetramethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione. Theacrine is supplied with detailed characterization data compliant with regulatory guideline. Theacrine 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 Caffeine. 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.

Methylliberine CAS#: 51168-26-4

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

Methylliberine is chemically 2-Methoxy-1,7,9-trimethyl-7,9-dihydro-1H-purine-6,8-dione. Methylliberine is supplied with detailed characterization data compliant with regulatory guideline. Methylliberine 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 Caffeine. 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.

Mononitroso Caffeidine CAS#: 145438-96-6

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

Mononitroso Caffeidine is chemically N,1-Dimethyl-4-(methyl(nitroso)amino)-1H-imidazole-5-carboxamide. Mononitroso Caffeidine is supplied with detailed characterization data compliant with regulatory guideline. Mononitroso Caffeidine 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 Caffeine. 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.

Paraxanthine-1-Methyl-d3 CAS#: 188297-90-7

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

Paraxanthine-1-Methyl-d3 is chemically 3,7-Dihydro-1-(methyl-d3)-7-methyl-1H-purine-2,6-dione. It is also known as 1,7-Dimethylxanthine-d3. Paraxanthine-1-Methyl-d3 is supplied with detailed characterization data compliant with regulatory guideline. Paraxanthine-1-Methyl-d3 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 Caffeine. 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 Caffeine Impurity 3 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

N-Nitroso Caffeine Impurity 3 is chemically 3,7-Dimethyl-1-nitroso-3,7-dihydro-1H-purine-2,6-dione. N-Nitroso Caffeine Impurity 3 is supplied with detailed characterization data compliant with regulatory guideline. N-Nitroso Caffeine 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 Caffeine. 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.

Caffeine Impurity 2 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

Caffeine Impurity 2 is chemically Sodium 4-(1,3-dimethylureido)-1H-imidazole-5-carboxylate. Caffeine Impurity 2 is supplied with detailed characterization data compliant with regulatory guideline. Caffeine 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 Caffeine. 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.

Caffeidine Acid CAS#: 54536-15-1

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

Caffeidine Acid is chemically 4-(1,3-Dimethylureido)-1-methyl-1H-imidazole-5-carboxylic acid. It is also known as Caffeidinecarboxylic Acid. Caffeidine Acid is supplied with detailed characterization data compliant with regulatory guideline. Caffeidine Acid 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 Caffeine. 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.

Caffeine Citrate CAS#: 69-22-7

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	58-08-2 (free base) ; 5743-12-4 (hydrate)

Use Pattern

Caffeine Citrate is chemically 1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione 2-hydroxypropane-1,2,3-tricarboxylate. It is also known as Theophylline EP Impurity A ; Pentoxifylline EP Impurity F. Caffeine Citrate is supplied with detailed characterization data compliant with regulatory guideline. Caffeine Citrate 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 Caffeine. 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 Caffeine Impurity 1 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

N-Nitroso Caffeine Impurity 1 is chemically 1,3-Dimethyl-7-nitroso-3,7-dihydro-1H-purine-2,6-dione. N-Nitroso Caffeine Impurity 1 is supplied with detailed characterization data compliant with regulatory guideline. N-Nitroso Caffeine 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 Caffeine. 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	Dinitroso Caffeidine
分子结构
CAS编号	145438-97-7
EINECS Number
MDL Number
Beilstein Registry Number
别名	N,1-Dimethyl-4-(methyl(nitroso)amino)-N-nitroso-1H-imidazole-5-carboxamide
分子式	C7H10N6O3
分子量	226.2
InChI
InChI Key
Canonical SMILES	CN1C=NC(N(N=O)C)=C1C(N(N=O)C)=O

英文名	Theacrine
分子结构
CAS编号	2309-49-1
EINECS Number
MDL Number
Beilstein Registry Number
别名	1,3,7,9-tetramethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
分子式	C9H12N4O3
分子量	224.2
InChI
InChI Key
Canonical SMILES	CN(C1=O)C(C(N2C)=O)=C(N(C2=O)C)N1C

英文名	Methylliberine
分子结构
CAS编号	51168-26-4
EINECS Number
MDL Number
Beilstein Registry Number
别名	2-Methoxy-1,7,9-trimethyl-7,9-dihydro-1H-purine-6,8-dione
分子式	C9H12N4O3
分子量	224.2
InChI
InChI Key
Canonical SMILES	O=C(N1C)C(N(C2=O)C)=C(N=C1OC)N2C

英文名	Mononitroso Caffeidine
分子结构
CAS编号	145438-96-6
EINECS Number
MDL Number
Beilstein Registry Number
别名	N,1-Dimethyl-4-(methyl(nitroso)amino)-1H-imidazole-5-carboxamide
分子式	C7H11N5O2
分子量	197.2
InChI
InChI Key
Canonical SMILES	CN1C=NC(N(N=O)C)=C1C(NC)=O

英文名	Paraxanthine-1-Methyl-d3
分子结构
CAS编号	188297-90-7
EINECS Number
MDL Number
Beilstein Registry Number
别名	3,7-Dihydro-1-(methyl-d3)-7-methyl-1H-purine-2,6-dione
分子式	C7H5D3N4O2
分子量	183.2
InChI
InChI Key
Canonical SMILES	O=C(N1C([2H])([2H])[2H])C(N2C)=C(N=C2)NC1=O

英文名	N-Nitroso Caffeine Impurity 3
分子结构
CAS编号	N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名	3,7-Dimethyl-1-nitroso-3,7-dihydro-1H-purine-2,6-dione
分子式	C7H7N5O3
分子量	209.2
InChI
InChI Key
Canonical SMILES	CN1C=NC2=C1C(N(N=O)C(N2C)=O)=O

英文名	Caffeine Impurity 2
分子结构
CAS编号	N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名	Sodium 4-(1,3-dimethylureido)-1H-imidazole-5-carboxylate
分子式	C7H9N4O3 : Na
分子量	197.2 : 23.0
InChI
InChI Key
Canonical SMILES	O=C([O-])C1=C(N(C(NC)=O)C)N=CN1.[Na+]

英文名	Caffeidine Acid
分子结构
CAS编号	54536-15-1
EINECS Number
MDL Number
Beilstein Registry Number
别名	4-(1,3-Dimethylureido)-1-methyl-1H-imidazole-5-carboxylic acid
分子式	C8H12N4O3
分子量	212.2
InChI
InChI Key
Canonical SMILES	CN(C(N=CN1C)=C1C(O)=O)C(NC)=O

英文名	Caffeine Citrate
分子结构
CAS编号	69-22-7
EINECS Number
MDL Number
Beilstein Registry Number
别名	1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione 2-hydroxypropane-1,2,3-tricarboxylate
分子式	C8H10N4O2 : C6H8O7
分子量	194.2 : 192.1
InChI
InChI Key
Canonical SMILES	O=C(N1C)C(N2C)=C(N=C2)N(C)C1=O.O=C(CC(C(O)=O)(CC(O)=O)O)O

英文名	N-Nitroso Caffeine Impurity 1
分子结构
CAS编号	N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名	1,3-Dimethyl-7-nitroso-3,7-dihydro-1H-purine-2,6-dione
分子式	C7H7N5O3
分子量	209.2
InChI
InChI Key
Canonical SMILES	O=NN1C=NC2=C1C(N(C)C(N2C)=O)=O