Saquinavir EP Impurity C CAS#: 136522-17-3

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

Identification

英文名 Saquinavir EP Impurity C
分子结构
CAS编号 136522-17-3
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydroisoquinoline-3-carboxamide (as per EP)
分子式 C24H39N3O2
分子量 401.6
InChI
InChI Key
Canonical SMILES N[C@@](CC1=CC=CC=C1)([C@]([H])(O)CN2C[C@](CCCC3)([H])[C@]3([H])C[C@]2(C(NC(C)(C)C)=O)[H])[H]

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 158340-86-4 (HCl salt)
Use Pattern
Saquinavir EP Impurity C is chemically (3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydroisoquinoline-3-carboxamide (as per EP). Saquinavir EP Impurity C is supplied with detailed characterization data compliant with regulatory guideline. Saquinavir EP Impurity C 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 Saquinavir. 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.

Saquinavir EP Impurity D CAS#: N/A

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

Identification

英文名 Saquinavir EP Impurity D
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (2R)-N1-[(1S,2R)-1-Benzyl-3-[(3S,4aS,8aS)-3-[(1,1-dimethylethyl)carbamoyl]octahydroisoquinolin-2(1H)-yl]-2-hydroxypropyl]-2-[(quinolin-2-ylcarbonyl)amino]butanediamide (as per EP) ; N-tert-Butyl-decahydro-2-[2(R)-hydroxy-4-phenyl-3(S)- [[N-(2-quinolylcarbonyl)-d-asparaginyl]amino]butyl]-(4aS,8aS)-isoquinoline-3(S)-carboxamide (as per USP)
分子式 C38H50N6O5
分子量 670.9
InChI
InChI Key
Canonical SMILES O=C(N[C@@](CC1=CC=CC=C1)([C@]([H])(O)CN2C[C@](CCCC3)([H])[C@]3([H])C[C@]2(C(NC(C)(C)C)=O)[H])[H])[C@@]([H])(CC(N)=O)NC(C4=NC5=C(C=C4)C=CC=C5)=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
Saquinavir EP Impurity D is chemically (2R)-N1-[(1S,2R)-1-Benzyl-3-[(3S,4aS,8aS)-3-[(1,1-dimethylethyl)carbamoyl]octahydroisoquinolin-2(1H)-yl]-2-hydroxypropyl]-2-[(quinolin-2-ylcarbonyl)amino]butanediamide (as per EP) ; N-tert-Butyl-decahydro-2-[2(R)-hydroxy-4-phenyl-3(S)- [[N-(2-quinolylcarbonyl)-d-asparaginyl]amino]butyl]-(4aS,8aS)-isoquinoline-3(S)-carboxamide (as per USP). It is also known as 2-Epi-saquinavir (EP) ; Saquinavir Related Compound A. Saquinavir EP Impurity D is supplied with detailed characterization data compliant with regulatory guideline. Saquinavir EP Impurity D 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 Saquinavir. 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.

Saquinavir EP Impurity H CAS#: N/A

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

Identification

英文名 Saquinavir EP Impurity H
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 N-[(3S)-1-[(1S,2R)-1-Benzyl-3-[(3S,4aS,8aS)-3-[(1,1-dimethylethyl)carbamoyl]octahydroisoquinolin-2(1H)-yl]-2-hydroxypropyl]-2,5-dioxopyrrolidin-3-yl]quinoline-2-carboxamide (as per EP)
分子式 C38H47N5O5
分子量 653.8
InChI
InChI Key
Canonical SMILES O=C(N[C@@]1([H])CC(N([C@@](CC2=CC=CC=C2)([C@]([H])(O)CN3C[C@](CCCC4)([H])[C@]4([H])C[C@]3(C(NC(C)(C)C)=O)[H])[H])C1=O)=O)C5=NC6=C(C=C5)C=CC=C6

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
Saquinavir EP Impurity H is chemically N-[(3S)-1-[(1S,2R)-1-Benzyl-3-[(3S,4aS,8aS)-3-[(1,1-dimethylethyl)carbamoyl]octahydroisoquinolin-2(1H)-yl]-2-hydroxypropyl]-2,5-dioxopyrrolidin-3-yl]quinoline-2-carboxamide (as per EP). Saquinavir EP Impurity H is supplied with detailed characterization data compliant with regulatory guideline. Saquinavir EP Impurity H 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 Saquinavir. 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.

Saquinavir EP Impurity F CAS#: N/A

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

Identification

英文名 Saquinavir EP Impurity F
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 N-[(1S)-2-[[(1S,2R)-1-Benzyl-3-[(3S,4aS,8aS)-3-[(1,1-dimethylethyl)carbamoyl]octahydroisoquinolin-2(1H)-yl]-2-hydroxypropyl]amino]-1-(cyanomethyl)-2-oxoethyl]quinoline-2-carboxamide (as per EP)
分子式 C38H48N6O4
分子量 652.8
InChI
InChI Key
Canonical SMILES O=C(N[C@@](CC1=CC=CC=C1)([C@]([H])(O)CN2C[C@](CCCC3)([H])[C@]3([H])C[C@]2(C(NC(C)(C)C)=O)[H])[H])[C@@](CC#N)([H])NC(C4=NC5=C(C=C4)C=CC=C5)=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
Saquinavir EP Impurity F is chemically N-[(1S)-2-[[(1S,2R)-1-Benzyl-3-[(3S,4aS,8aS)-3-[(1,1-dimethylethyl)carbamoyl]octahydroisoquinolin-2(1H)-yl]-2-hydroxypropyl]amino]-1-(cyanomethyl)-2-oxoethyl]quinoline-2-carboxamide (as per EP). Saquinavir EP Impurity F is supplied with detailed characterization data compliant with regulatory guideline. Saquinavir EP Impurity F 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 Saquinavir. 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.

Saquinavir Mesilate CAS#: 149845-06-7

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

Identification

英文名 Saquinavir Mesilate
分子结构
CAS编号 149845-06-7
EINECS Number
MDL Number
Beilstein Registry Number
别名 (2S)-N1-[(1S,2R)-1-Benzyl-3-[(3S,4aS,8aS)-3-[(1,1-dimethylethyl)carbamoyl]octahydroisoquinolin-2(1H)-yl]-2-hydroxypropyl]-2-[(quinolin-2-ylcarbonyl)amino]butanediamide methanesulfonate (as per EP) ; Butanediamide, N1-[3-[3-[[(1,1-dimethylethyl)amino]carbon yl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-2-[(2-quinolinylcarbonyl)amino]-, [3S-[2[1R*(R*),2S*],3alpha,4abeta,8abeta]]-, monomethanesulfonate (salt) (as per USP)
分子式 C38H50N6O5 : CH4O3S
分子量 670.9 : 96.1
InChI
InChI Key
Canonical SMILES O=C(N[C@@](CC1=CC=CC=C1)([C@]([H])(O)CN2C[C@](CCCC3)([H])[C@]3([H])C[C@]2(C(NC(C)(C)C)=O)[H])[H])[C@@](CC(N)=O)([H])NC(C4=NC5=C(C=C4)C=CC=C5)=O.O=S(C)(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 127779-20-8 (free base)
Use Pattern
Saquinavir Mesilate is chemically (2S)-N1-[(1S,2R)-1-Benzyl-3-[(3S,4aS,8aS)-3-[(1,1-dimethylethyl)carbamoyl]octahydroisoquinolin-2(1H)-yl]-2-hydroxypropyl]-2-[(quinolin-2-ylcarbonyl)amino]butanediamide methanesulfonate (as per EP) ; Butanediamide, N1-[3-[3-[[(1,1-dimethylethyl)amino]carbon yl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-2-[(2-quinolinylcarbonyl)amino]-, [3S-[2[1R*(R*),2S*],3alpha,4abeta,8abeta]]-, monomethanesulfonate (salt) (as per USP). Saquinavir Mesilate is supplied with detailed characterization data compliant with regulatory guideline. Saquinavir Mesilate 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 Saquinavir. 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.

Saquinavir EP Impurity G CAS#: N/A

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

Identification

英文名 Saquinavir EP Impurity G
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 Methyl (3S)-4-[[(1S,2R)-1-benzyl-3-[(3S,4aS,8aS)-3-[(1,1-dimethylethyl)carbamoyl]octahydroisoquinolin-2(1H)-yl]-2-hydroxypropyl]amino]-4-oxo-3-[(quinolin-2-ylcarbonyl)amino]butanoate (as per EP)
分子式 C39H51N5O6
分子量 685.9
InChI
InChI Key
Canonical SMILES O=C(N[C@@](CC1=CC=CC=C1)([C@]([H])(O)CN2C[C@](CCCC3)([H])[C@]3([H])C[C@]2(C(NC(C)(C)C)=O)[H])[H])[C@@](CC(OC)=O)([H])NC(C4=NC5=C(C=C4)C=CC=C5)=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
Saquinavir EP Impurity G is chemically Methyl (3S)-4-[[(1S,2R)-1-benzyl-3-[(3S,4aS,8aS)-3-[(1,1-dimethylethyl)carbamoyl]octahydroisoquinolin-2(1H)-yl]-2-hydroxypropyl]amino]-4-oxo-3-[(quinolin-2-ylcarbonyl)amino]butanoate (as per EP). Saquinavir EP Impurity G is supplied with detailed characterization data compliant with regulatory guideline. Saquinavir EP Impurity G 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 Saquinavir. 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.

Saquinavir EP Impurity A CAS#: 136465-98-0

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

Identification

英文名 Saquinavir EP Impurity A
分子结构
CAS编号 136465-98-0
EINECS Number
MDL Number
Beilstein Registry Number
别名 (2S)-4-Amino-4-oxo-2-[(quinolin-2-ylcarbonyl)amino]butanoic acid (as per EP)
分子式 C14H13N3O4
分子量 287.3
InChI
InChI Key
Canonical SMILES O=C(O)[C@@](CC(N)=O)([H])NC(C1=NC2=C(C=C1)C=CC=C2)=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 161852-65-9 (HCl salt)
Use Pattern
Saquinavir EP Impurity A is chemically (2S)-4-Amino-4-oxo-2-[(quinolin-2-ylcarbonyl)amino]butanoic acid (as per EP). Saquinavir EP Impurity A is supplied with detailed characterization data compliant with regulatory guideline. Saquinavir EP Impurity 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 Saquinavir. 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.

Saquinavir EP Impurity B CAS#: N/A

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

Identification

英文名 Saquinavir EP Impurity B
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 Ethyl (2S)-4-amino-4-oxo-2-[(quinolin-2-ylcarbonyl)amino]butanoate (as per EP)
分子式 C16H17N3O4
分子量 315.3
InChI
InChI Key
Canonical SMILES O=C(OCC)[C@@](CC(N)=O)([H])NC(C1=NC2=C(C=C1)C=CC=C2)=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
Saquinavir EP Impurity B is chemically Ethyl (2S)-4-amino-4-oxo-2-[(quinolin-2-ylcarbonyl)amino]butanoate (as per EP). Saquinavir EP Impurity B is supplied with detailed characterization data compliant with regulatory guideline. Saquinavir EP Impurity 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 Saquinavir. 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.

Saquinavir EP Impurity E CAS#: N/A

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

Identification

英文名 Saquinavir EP Impurity E
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3S)-4-[[(1S,2R)-1-Benzyl-3-[(3S,4aS,8aS)-3-[(1,1-dimethylethyl)carbamoyl]octahydroisoquinolin-2(1H)-yl]-2-hydroxypropyl]amino]-4-oxo-3-[(quinolin-2-ylcarbonyl)amino]butanoic acid (as per EP)
分子式 C38H49N5O6
分子量 671.8
InChI
InChI Key
Canonical SMILES O=C(N[C@@](CC1=CC=CC=C1)([C@]([H])(O)CN2C[C@](CCCC3)([H])[C@]3([H])C[C@]2(C(NC(C)(C)C)=O)[H])[H])[C@@](CC(O)=O)([H])NC(C4=NC5=C(C=C4)C=CC=C5)=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
Saquinavir EP Impurity E is chemically (3S)-4-[[(1S,2R)-1-Benzyl-3-[(3S,4aS,8aS)-3-[(1,1-dimethylethyl)carbamoyl]octahydroisoquinolin-2(1H)-yl]-2-hydroxypropyl]amino]-4-oxo-3-[(quinolin-2-ylcarbonyl)amino]butanoic acid (as per EP). Saquinavir EP Impurity E is supplied with detailed characterization data compliant with regulatory guideline. Saquinavir EP Impurity E 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 Saquinavir. 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.