Cefathiamidine-7-Side Chain Acid CAS#: 33075-00-224019

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	Cefathiamidine-7-Side Chain Acid
分子结构
CAS编号	33075-00-224019
EINECS Number
MDL Number
Beilstein Registry Number
别名	(E)-2-((N,N’-diisopropylcarbamimidoyl)thio)acetic acid
分子式	C9H18N2O2S
分子量	218.315
InChI
InChI Key
Canonical SMILES

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Physical Data

Appearance	Green liquid
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

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Route of Synthesis (ROS)

No data available

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Safety and Hazards

No data available

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Other Data

Storage

Store at -20°C

Use Pattern

Cefathiamidine-7-Side Chain Acid is an impurity of API Cefathiamidine.

Deacetylation Cefathiamidine Intermediate 2 CAS#: 33075-00-224018

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	Deacetylation Cefathiamidine Intermediate 2
分子结构
CAS编号	33075-00-224018
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7R)-7-(2-bromoacetamido)-3-((2-bromoacetoxy)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
分子式	C12H12Br2N2O6S
分子量	472.104
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

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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

Deacetylation Cefathiamidine Intermediate 2 is an impurity of API Cefathiamidine.

Bromoacetyl Cefathiamidine CAS#: 33075-00-224017

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	Bromoacetyl Cefathiamidine
分子结构
CAS编号	33075-00-224017
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7R)-3-((2-bromoacetoxy)methyl)-7 -(2-(((E)-N,N’-diisopropylcarbamimidoyl)thio)acetamido)-8-oxo-5-thia- 1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
分子式	C19H27BrN4O6S2
分子量	551.471
InChI
InChI Key
Canonical SMILES

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Physical Data

Appearance	White solid
Solubility	Unstable
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

---

Safety and Hazards

No data available

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Other Data

Storage

Store at -20°C

Use Pattern

Bromoacetyl Cefathiamidine is an impurity of API Cefathiamidine.

3-Methyl Cefathiamidine Intermediate CAS#: 58197-02-7

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-Methyl Cefathiamidine Intermediate
分子结构
CAS编号	58197-02-7
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7R)-7-(2-bromoacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct- 2-ene-2-carboxylic acid
分子式	C10H11BrN2O4S
分子量	335.172
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

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Spectra

No data available

---

Route of Synthesis (ROS)

No data available

---

Safety and Hazards

No data available

---

Other Data

Storage

Use Pattern

3-Methyl Cefathiamidine Intermediate is an impurity of API Cefathiamidine.

Isopropylamino Cefathiamidine CAS#: 33075-00-224015

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	Isopropylamino Cefathiamidine
分子结构
CAS编号	33075-00-224015
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7R)-3-(acetoxymethyl)-7-(2-(isopropylamino)acetamido)-8- oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
分子式	C15H21N3O6S
分子量	371.408
InChI
InChI Key
Canonical SMILES

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Physical Data

Appearance	White powder
Solubility	Unstable
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

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Other Data

Storage

Use Pattern

Isopropylamino Cefathiamidine is an impurity of API Cefathiamidine.

Cefathiamidine Intermediate Lactone CAS#: 33075-00-224014

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	Cefathiamidine Intermediate Lactone
分子结构
CAS编号	33075-00-224014
EINECS Number
MDL Number
Beilstein Registry Number
别名	2-bromo-N-((5aR,6R)-1,7-dioxo-1,3,4,5a,6,7-hexahydroazeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl)acetamide
分子式	C10H9BrN2O4S
分子量	333.156
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

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Safety and Hazards

No data available

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Other Data

Storage

Use Pattern

Cefathiamidine Intermediate Lactone is an impurity of API Cefathiamidine.

Dibromo-cefathiamidine Intermediate CAS#: 33075-00-224013

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	Dibromo-cefathiamidine Intermediate
分子结构
CAS编号	33075-00-224013
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7R)-3-(acetoxymethyl)-7-(2,2-dibromoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
分子式	C12H12Br2N2O6S
分子量	472.104
InChI
InChI Key
Canonical SMILES

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Physical Data

Appearance	Light yellow powder
Solubility	Initial mobile phase
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

Dibromo-cefathiamidine Intermediate is an impurity of API Cefathiamidine.

Deacetoxy Cefathiamidine CAS#: 33075-00-224012

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	Deacetoxy Cefathiamidine
分子结构
CAS编号	33075-00-224012
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7R)-7-(2-bromoacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
分子式	C10H11BrN2O4S
分子量	335.172
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

---

Safety and Hazards

No data available

---

Other Data

Storage

Use Pattern

Deacetoxy Cefathiamidine is an impurity of API Cefathiamidine.

3- Methyl Cefathiamidine CAS#: 33075-00-224009

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- Methyl Cefathiamidine
分子结构
CAS编号	33075-00-224009
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7R)-7-(2-(((E)-N,N’-diisopropylcarbamimidoyl)thio)acetamido)-3-methyl- 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
分子式	C17H26N4O4S2
分子量	414.539
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

---

Safety and Hazards

No data available

---

Other Data

Storage

Use Pattern

3- Methyl Cefathiamidine is an impurity of API Cefathiamidine.

7-BCA CAS#: 33075-00-224008

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-BCA
分子结构
CAS编号	33075-00-224008
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7R)-7-(2-bromoacetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
分子式	C10H11BrN2O5S
分子量	351.171
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

---

Other Data

Storage

Use Pattern

7-BCA is an impurity of API Cefathiamidine.