7-Formamido ACA CAS#: 27267-35-2

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	7-Formamido ACA
分子结构
CAS编号	27267-35-2
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7R)-3-(acetoxymethyl)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
分子式	C11H12N2O6S
分子量	300.285
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

7-Formamido ACA is an impurity of API 7-ACA.

AA-7-ACA CAS#: 957-68-634013

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	AA-7-ACA
分子结构
CAS编号	957-68-634013
EINECS Number
MDL Number
Beilstein Registry Number
别名	2-(((6R,7R)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2 -ene-2-carbonyl)oxy)acetic acid
分子式	C12H14N2O7S
分子量	330.31376
InChI
InChI Key
Canonical SMILES

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Physical Data

Appearance	Yellow solid
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

Store at -20°C

Use Pattern

AA-7-ACA is an impurity of API 7-ACA.

7-ACA Dimer 3 CAS#: 957-68-634015

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-ACA Dimer 3
分子结构
CAS编号	957-68-634015
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,6’R,7R,7’R)-7,7′-(carbonylbis(azanediyl))bis(3-(acetoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)
分子式	C21H22N4O11S2
分子量	570.544
InChI
InChI Key
Canonical SMILES

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Physical Data

Appearance	White 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

Store at -20°C

Use Pattern

7-ACA Dimer 3 is an impurity of API 7-ACA.

7-ACA-Dimer B CAS#: 957-68-634012

By great_watson-int, 26th May 2022

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

---

Identification

英文名	7-ACA-Dimer B
分子结构
CAS编号	957-68-634012
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7R)-3-(acetoxymethyl)-7-((6R,7R)-3-(acetoxymethyl)-7-amino -8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamido) -8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
分子式	C20H22N4O9S2
分子量	526.535
InChI
InChI Key
Canonical SMILES

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Physical Data

Appearance	Light yellow solid
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

7-ACA-Dimer B is an impurity of API 7-ACA.

7-ACA-Dimer A CAS#: 957-68-634011

By great_watson-int, 26th May 2022

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

---

Identification

英文名	7-ACA-Dimer A
分子结构
CAS编号	957-68-634011
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7R)-3-(acetoxymethyl)-7-((((6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl)amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
分子式	C18H20N4O8S2
分子量	484.498
InChI
InChI Key
Canonical SMILES

---

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

7-ACA-Dimer A is an impurity of API 7-ACA.

7-ACA-Dimer B CAS#: 957-68-634012

By great_watson-int, 26th May 2022

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

---

Identification

英文名	7-ACA-Dimer B
分子结构
CAS编号	957-68-634012
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7R)-3-(acetoxymethyl)-7-((6R,7R)-3-(acetoxymethyl)-7-amino -8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamido) -8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
分子式	C20H22N4O9S2
分子量	526.535
InChI
InChI Key
Canonical SMILES

---

Physical Data

Appearance	Light yellow solid
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

7-ACA-Dimer B is an impurity of API 7-ACA.

7-ACA Lactone(7-ACA Impurity 4) CAS#: 184696-69-3

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-ACA Lactone(7-ACA Impurity 4)
分子结构
CAS编号	184696-69-3
EINECS Number
MDL Number
Beilstein Registry Number
别名	(5aR,6R)-6-amino-5a,6-dihydro-3H,7H-azeto[2,1-b]furo[3,4-d][1,3]thiazine-1,7(4H)-dione
分子式	C8H8N2O3S
分子量	212.223
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

---

Safety and Hazards

No data available

---

Other Data

Storage

Use Pattern

7-ACA Lactone(7-ACA Impurity 4) is an impurity of API 7-ACA.

7-ACA Oxide Impurity CAS#: 957-68-634010

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-ACA Oxide Impurity
分子结构
CAS编号	957-68-634010
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7R)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5-oxide
分子式	C10H12N2O6S
分子量	288.274
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

7-ACA Oxide Impurity is an impurity of API 7-ACA.

(Delta-3)-7-ACA CAS#: 18884-65-6

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)-7-ACA
分子结构
CAS编号	18884-65-6
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7R)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
分子式	C10H12N2O5S
分子量
InChI
InChI Key
Canonical SMILES

---

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

(Delta-3)-7-ACA is an impurity of API 7-ACA.

7-ACA-Dimer A CAS#: 957-68-634011

By great_watson-int, 26th May 2022

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

---

Identification

英文名	7-ACA-Dimer A
分子结构
CAS编号	957-68-634011
EINECS Number
MDL Number
Beilstein Registry Number
别名	(6R,7R)-3-(acetoxymethyl)-7-((((6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl)amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
分子式	C18H20N4O8S2
分子量	484.498
InChI
InChI Key
Canonical SMILES

---

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

7-ACA-Dimer A is an impurity of API 7-ACA.