Ledipasvir Impurity 20 CAS#: 1256393-27-7

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

Identification

英文名 Ledipasvir Impurity 20
分子结构
CAS编号 1256393-27-7
EINECS Number
MDL Number
Beilstein Registry Number
别名 Tert-butyl (1R,3S,4S)-3-(6-(9,9-difluoro-7-(2-((S)-5-((methoxycarbonyl)-L-valyl)-5-azaspiro[2.4]heptan-6-yl)-1H-imidazol-5-yl)-9H-fluoren-2-yl)-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
分子式 C47H51F2N7O5
分子量 832.0
InChI
InChI Key
Canonical SMILES O=C(N1CC2(CC2)C[C@H]1C3=NC=C(C4=CC=C(C5=CC=C(C6=CC=C7C(NC([C@H]([C@]8([H])C[C@@]9([H])CC8)N9C(OC(C)(C)C)=O)=N7)=C6)C=C%105)C(C%10(F)F)=C4)N3)[C@H](C(C)C)NC(OC)=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
Ledipasvir Impurity 20 is chemically Tert-butyl (1R,3S,4S)-3-(6-(9,9-difluoro-7-(2-((S)-5-((methoxycarbonyl)-L-valyl)-5-azaspiro[2.4]heptan-6-yl)-1H-imidazol-5-yl)-9H-fluoren-2-yl)-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate. Ledipasvir Impurity 20 is supplied with detailed characterization data compliant with regulatory guideline. Ledipasvir Impurity 20 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 Ledipasvir. 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.

Ledipasvir Acetyl Spiro Impurity CAS#: 2040487-36-1

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

Identification

英文名 Ledipasvir Acetyl Spiro Impurity
分子结构
CAS编号 2040487-36-1
EINECS Number
MDL Number
Beilstein Registry Number
别名 Methyl ((S)-1-((1R,3S,4S)-3-(6-(7-(2-((S)-5-acetyl-5-azaspiro[2.4]heptan-6-yl)-1H-imidazol-5-yl)-9,9-difluoro-9H-fluoren-2-yl)-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl)-3-methyl-1-oxobutan-2-yl)carbamate
分子式 C44H45F2N7O4
分子量 773.9
InChI
InChI Key
Canonical SMILES O=C(OC)N[C@@H](C(C)C)C(N1[C@](C2)([H])CC[C@]2([H])[C@H]1C3=NC4=CC=C(C5=CC(C(F)(F)C6=C7C=CC(C8=CN=C([C@H](C9)N(C(C)=O)CC%109CC%10)N8)=C6)=C7C=C5)C=C4N3)=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
Ledipasvir Acetyl Spiro Impurity is chemically Methyl ((S)-1-((1R,3S,4S)-3-(6-(7-(2-((S)-5-acetyl-5-azaspiro[2.4]heptan-6-yl)-1H-imidazol-5-yl)-9,9-difluoro-9H-fluoren-2-yl)-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl)-3-methyl-1-oxobutan-2-yl)carbamate. Ledipasvir Acetyl Spiro Impurity is supplied with detailed characterization data compliant with regulatory guideline. Ledipasvir Acetyl Spiro Impurity 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 Ledipasvir. 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.

Ledipasvir Nitroso Impurity 1 CAS#: N/A

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

Identification

英文名 Ledipasvir Nitroso Impurity 1
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 Methyl ((S)-1-((S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((methoxycarbonyl)-L-valyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1-nitroso-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate
分子式 C49H53F2N9O7
分子量 918.0
InChI
InChI Key
Canonical SMILES O=C(OC)N[C@@H](C(C)C)C(N([C@H](C1=NC=C(C2=CC(C(F)(F)C3=C4C=CC(C5=CC=C6C(N(N=O)C([C@@H]7[C@@](C8)([H])CC[C@@]8([H])N7C([C@@H](NC(OC)=O)C(C)C)=O)=N6)=C5)=C3)=C4C=C2)N1)C9)CC%109CC%10)=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
Ledipasvir Nitroso Impurity 1 is chemically Methyl ((S)-1-((S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((methoxycarbonyl)-L-valyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1-nitroso-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate. Ledipasvir Nitroso Impurity 1 is supplied with detailed characterization data compliant with regulatory guideline. Ledipasvir Nitroso 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 Ledipasvir. 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.

Ledipasvir Nitroso Impurity 3 CAS#: N/A

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

Identification

英文名 Ledipasvir Nitroso Impurity 3
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 Methyl ((S)-1-((S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((methoxycarbonyl)-L-valyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1-nitroso-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate
分子式 C49H53F2N9O7
分子量 918.0
InChI
InChI Key
Canonical SMILES O=C(OC)N[C@@H](C(C)C)C(N([C@H](C1=NC=C(C2=CC(C(F)(F)C3=C4C=CC(C5=CC=C6C(NC([C@@H]7[C@@](C8)([H])CC[C@@]8([H])N7C([C@@H](NC(OC)=O)C(C)C)=O)=N6)=C5)=C3)=C4C=C2)N1N=O)C9)CC%109CC%10)=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
Ledipasvir Nitroso Impurity 3 is chemically Methyl ((S)-1-((S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((methoxycarbonyl)-L-valyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1-nitroso-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate. Ledipasvir Nitroso Impurity 3 is supplied with detailed characterization data compliant with regulatory guideline. Ledipasvir Nitroso 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 Ledipasvir. 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.

Ledipasvir Hydrochloride CAS#: 2128695-48-5

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

Identification

英文名 Ledipasvir Hydrochloride
分子结构
CAS编号 2128695-48-5
EINECS Number
MDL Number
Beilstein Registry Number
别名 Methyl ((S)-1-((S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((methoxycarbonyl)-L-valyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate Hydrochloride
分子式 C49H54F2N8O6 : HCl
分子量 889.0 : 36.5
InChI
InChI Key
Canonical SMILES O=C(OC)N[C@@H](C(C)C)C(N([C@H](C1=NC=C(C2=CC(C(F)(F)C3=C4C=CC(C5=CC=C6C(NC([C@@H]7[C@@](C8)([H])CC[C@@]8([H])N7C([C@@H](NC(OC)=O)C(C)C)=O)=N6)=C5)=C3)=C4C=C2)N1)C9)CC%109CC%10)=O.Cl

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 1256388-51-8 (free base)
Use Pattern
Ledipasvir Hydrochloride is chemically Methyl ((S)-1-((S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((methoxycarbonyl)-L-valyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate Hydrochloride. Ledipasvir Hydrochloride is supplied with detailed characterization data compliant with regulatory guideline. Ledipasvir Hydrochloride 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 Ledipasvir. 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.

Ledipasvir Nitroso Impurity 2 CAS#: N/A

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

Identification

英文名 Ledipasvir Nitroso Impurity 2
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 Methyl ((S)-1-((S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((methoxycarbonyl)-L-valyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1-nitroso-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1-nitroso-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate
分子式 C49H52F2N10O8
分子量 947.0
InChI
InChI Key
Canonical SMILES O=C(OC)N[C@@H](C(C)C)C(N([C@H](C1=NC=C(C2=CC(C(F)(F)C3=C4C=CC(C5=CC=C6C(N(N=O)C([C@@H]7[C@@](C8)([H])CC[C@@]8([H])N7C([C@@H](NC(OC)=O)C(C)C)=O)=N6)=C5)=C3)=C4C=C2)N1N=O)C9)CC%109CC%10)=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
Ledipasvir Nitroso Impurity 2 is chemically Methyl ((S)-1-((S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((methoxycarbonyl)-L-valyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1-nitroso-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1-nitroso-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate. Ledipasvir Nitroso Impurity 2 is supplied with detailed characterization data compliant with regulatory guideline. Ledipasvir Nitroso 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 Ledipasvir. 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.

Ledipasvir Intermediate 2 CAS#: 1441670-89-8

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

Identification

英文名 Ledipasvir Intermediate 2
分子结构
CAS编号 1441670-89-8
EINECS Number
MDL Number
Beilstein Registry Number
别名 (S)-Tert-butyl 6-(5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate
分子式 C27H26BrF2N3O2
分子量 542.4
InChI
InChI Key
Canonical SMILES BrC1=CC=C(C2=CC=C(C3=CN=C([C@H]4N(C(OC(C)(C)C)=O)CC5(CC5)C4)N3)C=C2C6(F)F)C6=C1

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
Ledipasvir Intermediate 2 is chemically (S)-Tert-butyl 6-(5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate. Ledipasvir Intermediate 2 is supplied with detailed characterization data compliant with regulatory guideline. Ledipasvir Intermediate 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 Ledipasvir. 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.

Ledipasvir Intermediate 1 CAS#: 291775-59-2

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

Identification

英文名 Ledipasvir Intermediate 1
分子结构
CAS编号 291775-59-2
EINECS Number
MDL Number
Beilstein Registry Number
别名 (1R,3S,4S)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
分子式 C12H19NO4
分子量 241.3
InChI
InChI Key
Canonical SMILES CC(C)(C)OC(N1[C@H](C(O)=O)[C@H]2CC[C@@H]1C2)=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
Ledipasvir Intermediate 1 is chemically (1R,3S,4S)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid. Ledipasvir Intermediate 1 is supplied with detailed characterization data compliant with regulatory guideline. Ledipasvir Intermediate 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 Ledipasvir. 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.

Ledipasvir 1S,3R,4R-Diastereomer CAS#: N/A

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

Identification

英文名 Ledipasvir 1S,3R,4R-Diastereomer
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 Methyl ((S)-1-((S)-6-(5-(9,9-difluoro-7-(2-((1S,3R,4R)-2-((methoxycarbonyl)-L-valyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate
分子式 C49H54F2N8O6
分子量 889.0
InChI
InChI Key
Canonical SMILES O=C(OC)N[C@@H](C(C)C)C(N([C@H](C1=NC=C(C2=CC(C(F)(F)C3=C4C=CC(C5=CC=C6C(NC([C@H]7[C@](C8)([H])CC[C@]8([H])N7C([C@@H](NC(OC)=O)C(C)C)=O)=N6)=C5)=C3)=C4C=C2)N1)C9)CC%109CC%10)=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
Ledipasvir 1S,3R,4R-Diastereomer is chemically Methyl ((S)-1-((S)-6-(5-(9,9-difluoro-7-(2-((1S,3R,4R)-2-((methoxycarbonyl)-L-valyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate. Ledipasvir 1S,3R,4R-Diastereomer is supplied with detailed characterization data compliant with regulatory guideline. Ledipasvir 1S,3R,4R-Diastereomer 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 Ledipasvir. 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.

Ledipasvir-d6 CAS#: N/A

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

Identification

英文名 Ledipasvir-d6
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 Methyl-d3 ((S)-1-((S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-(((methoxy-d3)carbonyl)-L-valyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate
分子式 C49H48D6F2N8O6
分子量 895.1
InChI
InChI Key
Canonical SMILES O=C(OC([2H])([2H])[2H])N[C@@H](C(C)C)C(N([C@H](C1=NC=C(C2=CC(C(F)(F)C3=C4C=CC(C5=CC=C6C(NC([C@@H]7[C@@](C8)([H])CC[C@@]8([H])N7C([C@@H](NC(OC([2H])([2H])[2H])=O)C(C)C)=O)=N6)=C5)=C3)=C4C=C2)N1)C9)CC%109CC%10)=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
Ledipasvir-d6 is chemically Methyl-d3 ((S)-1-((S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-(((methoxy-d3)carbonyl)-L-valyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate. Ledipasvir-d6 is supplied with detailed characterization data compliant with regulatory guideline. Ledipasvir-d6 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 Ledipasvir. 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.