Cefmetazole Impurity 0031-Delta-3 CAS#: 56796-20-421032

By great_watson-int, 26th May 2022

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

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Identification

英文名	Cefmetazole Impurity 0031-Delta-3
分子结构
CAS编号	56796-20-421032
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7S)-7-(2-chloroacetamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
分子式	C13H15ClN6O5S2
分子量	434.87
InChI
InChI Key
Canonical SMILES

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Physical Data

Appearance	White solid
Solubility	50% acetonitrile and 50% water dissolved
Flash Point	No data available
Refractive index	No data available
Sensitivity	No data available
Melting Point	No data available

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Spectra

No data available

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Route of Synthesis (ROS)

No data available

---

Safety and Hazards

No data available

---

Other Data

Storage

Store at -20°C

Use Pattern

Cefmetazole Impurity 0031-Delta-3 is an impurity of API Cefmetazole.

Cefmetazole Impurity 0031 CAS#: 56796-20-421031

By great_watson-int, 26th May 2022

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

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Identification

英文名	Cefmetazole Impurity 0031
分子结构
CAS编号	56796-20-421031
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7S)-7-(2-chloroacetamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
分子式	C13H15ClN6O5S2
分子量	434.87
InChI
InChI Key
Canonical SMILES

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Physical Data

Appearance	White solid
Solubility	50% acetonitrile and 50% water dissolved
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

Storage

Store at -20°C

Use Pattern

Cefmetazole Impurity 0031 is an impurity of API Cefmetazole.

3-Acetyloxy Tetrazole Cefmetazole Double-Bond Shift CAS#: 56796-20-421030

By great_watson-int, 26th May 2022

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

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Identification

英文名	3-Acetyloxy Tetrazole Cefmetazole Double-Bond Shift
分子结构
CAS编号	56796-20-421030
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7R)-3-(acetoxymethyl)-7-(2-methoxy-2-((1-methyl-1H-tetrazol-5-yl)thio)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
分子式	C15H18N6O7S2
分子量	458.464
InChI
InChI Key
Canonical SMILES

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Physical Data

Appearance	Light yellow solid
Solubility
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

Storage

Use Pattern

3-Acetyloxy Tetrazole Cefmetazole Double-Bond Shift is an impurity of API Cefmetazole.

3-Acetyloxy Tetrazole Cefmetazole CAS#: 56796-20-421029

By great_watson-int, 26th May 2022

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

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Identification

英文名	3-Acetyloxy Tetrazole Cefmetazole
分子结构
CAS编号	56796-20-421029
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7R)-3-(acetoxymethyl)-7-(2-methoxy-2-((1-methyl-1H-tetrazol-5-yl)thio)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
分子式	C15H18N6O7S2
分子量	458.464
InChI
InChI Key
Canonical SMILES

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Physical Data

Appearance	Light yellow solid
Solubility
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

Storage

Use Pattern

3-Acetyloxy Tetrazole Cefmetazole is an impurity of API Cefmetazole.

7-Methylmercapto Cefmetazole(Tetrabutyl Ammonium Hydroxide Salt) CAS#: 56796-20-421028

By great_watson-int, 26th May 2022

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

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Identification

英文名	7-Methylmercapto Cefmetazole(Tetrabutyl Ammonium Hydroxide Salt)
分子结构
CAS编号	56796-20-421028
EINECS Number
MDL Number
Beilstein Registry Number
别名	Tetrabutyl ammonium hydroxide salt (6R,7S)-7-(2-((cyanomethyl)thio)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-7-(methylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
分子式	C15H17N7O4S4(C16H37NO)
分子量	487.58600(259.47800)
InChI
InChI Key
Canonical SMILES

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Physical Data

Appearance	White powder
Solubility	Stable
Flash Point	No data available
Refractive index	No data available
Sensitivity	No data available
Melting Point	No data available

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Spectra

No data available

---

Route of Synthesis (ROS)

No data available

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Safety and Hazards

No data available

---

Other Data

Storage

Use Pattern

7-Methylmercapto Cefmetazole(Tetrabutyl Ammonium Hydroxide Salt) is an impurity of API Cefmetazole.

Cefmetazole DIPHS Impurity CAS#: 64278-70-2

By great_watson-int, 26th May 2022

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

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Identification

英文名	Cefmetazole DIPHS Impurity
分子结构
CAS编号	64278-70-2
EINECS Number
MDL Number
Beilstein Registry Number
别名	benzhydryl(R,E)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-7-((methylthio)imino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
分子式	C24H22N6O3S3
分子量	538.659
InChI
InChI Key
Canonical SMILES

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Physical Data

Appearance	Light yellow powder
Solubility	Stable
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

Storage

Use Pattern

Cefmetazole DIPHS Impurity is an impurity of API Cefmetazole.

Cefmetazole Impurity E Intermediate CAS#: 56796-20-421026

By great_watson-int, 26th May 2022

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

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Identification

英文名	Cefmetazole Impurity E Intermediate
分子结构
CAS编号	56796-20-421026
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7S)-7-(2-bromoacetamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8- oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
分子式	C13H15BrN6O5S2
分子量	479.324
InChI
InChI Key
Canonical SMILES

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Physical Data

Appearance	White powder
Solubility	Relatively stable
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

Storage

Use Pattern

Cefmetazole Impurity E Intermediate is an impurity of API Cefmetazole.

Cefmetazole Impurity E CAS#: 56796-20-421025

By great_watson-int, 26th May 2022

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

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Identification

英文名	Cefmetazole Impurity E
分子结构
CAS编号	56796-20-421025
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7S)-7-methoxy-7-(2-((2-methoxy-2-oxoethyl)thio)acetamido)-3-(((1-methyl-1H-tetrazol- 5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
分子式	C16H20N6O7S3
分子量	504.551
InChI
InChI Key
Canonical SMILES

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Physical Data

Appearance	White powder
Solubility	Relatively stable
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

Storage

Use Pattern

Cefmetazole Impurity E is an impurity of API Cefmetazole.

Delta-3-Cefmetazole 2 (Cefmetazole Degradation Impurity) CAS#: 56796-20-421024

By great_watson-int, 26th May 2022

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

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Identification

英文名	Delta-3-Cefmetazole 2 (Cefmetazole Degradation Impurity)
分子结构
CAS编号	56796-20-421024
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7S,Z)-7-(2-((cyanomethyl)thio)acetamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methylene)-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid
分子式	C15H17N7O5S3
分子量	471.525
InChI
InChI Key
Canonical SMILES

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Physical Data

Appearance
Solubility
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

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Safety and Hazards

No data available

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Other Data

Storage

Use Pattern

Delta-3-Cefmetazole 2 (Cefmetazole Degradation Impurity) is an impurity of API Cefmetazole.

Cefmetazole Open-Ring Decarboxylation Impurity B CAS#: 56796-20-421023

By great_watson-int, 26th May 2022

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

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Identification

英文名	Cefmetazole Open-Ring Decarboxylation Impurity B
分子结构
CAS编号	56796-20-421023
EINECS Number
MDL Number
Beilstein Registry Number
别名	2-((2-((cyanomethyl)thio)acetamido)(methoxy)methyl)-5-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
分子式	C14H19N7O4S3
分子量	445.531
InChI
InChI Key
Canonical SMILES

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Physical Data

Appearance	White powder
Solubility
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

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Safety and Hazards

No data available

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Other Data

Storage

Use Pattern

Cefmetazole Open-Ring Decarboxylation Impurity B is an impurity of API Cefmetazole.