Pasireotide Diaspartate CAS#: 1421446-02-7

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

Identification

英文名 Pasireotide Diaspartate
分子结构
CAS编号 1421446-02-7
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3S,6R,9S,12S,15S,19R,20aS)-6-((1H-indol-3-yl)methyl)-9-(4-aminobutyl)-15-benzyl-12-(4-(benzyloxy)benzyl)-1,4,7,10,13,16-hexaoxo-3-phenylicosahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecin-19-yl (2-aminoethyl)carbamate bis(L-aspartate)
分子式 C58H66N10O9 : 2(C4H7NO4)
分子量 1047.2 : 2(133.1)
InChI
InChI Key
Canonical SMILES O=C([C@@H](NC([C@@H](NC([C@@H]1CCCCN)=O)CC(C=C2)=CC=C2OCC3=CC=CC=C3)=O)CC4=CC=CC=C4)N(C5)[C@@](C(N[C@@H](C6=CC=CC=C6)C(N[C@@H](C(N1)=O)CC7=CNC8=CC=CC=C78)=O)=O)([H])C[C@H]5OC(NCCN)=O.N[C@H](C(O)=O)CC(O)=O.N[C@H](C(O)=O)CC(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 396091-73-9 (free base) ; 1498075-96-9 (XHCl salt) ; 396091-75-1 (TFA salt)
Use Pattern
Pasireotide Diaspartate is chemically (3S,6R,9S,12S,15S,19R,20aS)-6-((1H-indol-3-yl)methyl)-9-(4-aminobutyl)-15-benzyl-12-(4-(benzyloxy)benzyl)-1,4,7,10,13,16-hexaoxo-3-phenylicosahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecin-19-yl (2-aminoethyl)carbamate bis(L-aspartate). Pasireotide Diaspartate is supplied with detailed characterization data compliant with regulatory guideline. Pasireotide Diaspartate 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 Pasireotide. 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.

Pasireotide Impurity 4 CAS#: N/A

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

Identification

英文名 Pasireotide Impurity 4
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3S,6R,9S,12S,15S,19R,20aS)-6-((1H-indol-3-yl)methyl)-9-(4-aminobutyl)-15-benzyl-12-(3-benzyl-4-hydroxybenzyl)-1,4,7,10,13,16-hexaoxo-3-phenylicosahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecin-19-yl (2-aminoethyl)carbamate
分子式 C58H66N10O9
分子量 1047.2
InChI
InChI Key
Canonical SMILES O=C(O[C@@H](C1)C[C@](C(N[C@@H](C2=CC=CC=C2)C(N[C@H](CC3=CNC4=C3C=CC=C4)C(N[C@@H](CCCCN)C(N[C@@H](CC5=CC=C(O)C(CC6=CC=CC=C6)=C5)C(N[C@H]7CC8=CC=CC=C8)=O)=O)=O)=O)=O)([H])N1C7=O)NCCN

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
Pasireotide Impurity 4 is chemically (3S,6R,9S,12S,15S,19R,20aS)-6-((1H-indol-3-yl)methyl)-9-(4-aminobutyl)-15-benzyl-12-(3-benzyl-4-hydroxybenzyl)-1,4,7,10,13,16-hexaoxo-3-phenylicosahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecin-19-yl (2-aminoethyl)carbamate. Pasireotide Impurity 4 is supplied with detailed characterization data compliant with regulatory guideline. Pasireotide Impurity 4 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 Pasireotide. 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.

Pasireotide Impurity 2 CAS#: 741701-25-7

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

Identification

英文名 Pasireotide Impurity 2
分子结构
CAS编号 741701-25-7
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3R,6R,9S,12S,15S,19R,20aS)-6-((1H-indol-3-yl)methyl)-9-(4-aminobutyl)-15-benzyl-12-(4-(benzyloxy)benzyl)-1,4,7,10,13,16-hexaoxo-3-phenylicosahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecin-19-yl (2-aminoethyl)carbamate
分子式 C58H66N10O9
分子量 1047.2
InChI
InChI Key
Canonical SMILES O=C(O[C@@H](C1)C[C@](C(N[C@H](C2=CC=CC=C2)C(N[C@H](CC3=CNC4=C3C=CC=C4)C(N[C@@H](CCCCN)C(N[C@@H](CC5=CC=C(OCC6=CC=CC=C6)C=C5)C(N[C@H]7CC8=CC=CC=C8)=O)=O)=O)=O)=O)([H])N1C7=O)NCCN

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 820232-46-0 (TFA salt)
Use Pattern
Pasireotide Impurity 2 is chemically (3R,6R,9S,12S,15S,19R,20aS)-6-((1H-indol-3-yl)methyl)-9-(4-aminobutyl)-15-benzyl-12-(4-(benzyloxy)benzyl)-1,4,7,10,13,16-hexaoxo-3-phenylicosahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecin-19-yl (2-aminoethyl)carbamate. Pasireotide Impurity 2 is supplied with detailed characterization data compliant with regulatory guideline. Pasireotide 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 Pasireotide. 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.

Pasireotide Impurity 5 CAS#: N/A

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

Identification

英文名 Pasireotide Impurity 5
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3S,6R,9S,12S,15S,19R,20aS)-6-((1H-indol-3-yl)methyl)-9-(4-aminobutyl)-15-benzyl-12-(4-(benzyloxy)benzyl)-1,4,7,10,13,16-hexaoxo-3-phenylicosahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecin-19-yl piperazine-1-carboxylate
分子式 C60H68N10O9
分子量 1073.3
InChI
InChI Key
Canonical SMILES O=C(N1CCNCC1)O[C@@H](C2)C[C@](C(N[C@@H](C3=CC=CC=C3)C(N[C@H](CC4=CNC5=C4C=CC=C5)C(N[C@@H](CCCCN)C(N[C@@H](CC6=CC=C(OCC7=CC=CC=C7)C=C6)C(N[C@H]8CC9=CC=CC=C9)=O)=O)=O)=O)=O)([H])N2C8=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
Pasireotide Impurity 5 is chemically (3S,6R,9S,12S,15S,19R,20aS)-6-((1H-indol-3-yl)methyl)-9-(4-aminobutyl)-15-benzyl-12-(4-(benzyloxy)benzyl)-1,4,7,10,13,16-hexaoxo-3-phenylicosahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecin-19-yl piperazine-1-carboxylate. Pasireotide Impurity 5 is supplied with detailed characterization data compliant with regulatory guideline. Pasireotide Impurity 5 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 Pasireotide. 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.

Pasireotide 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 Pasireotide Impurity 3
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3S,6R,9S,12S,15S,19R,20aS)-6-((1H-indol-3-yl)methyl)-9-(4-aminobutyl)-15-benzyl-12-(4-(benzyloxy)benzyl)-19-hydroxy-3-phenyltetradecahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecine-1,4,7,10,13,16-hexaone
分子式 C55H60N8O8
分子量 961.1
InChI
InChI Key
Canonical SMILES O=C(N[C@@H](C1=CC=CC=C1)C(N[C@H](CC2=CNC3=C2C=CC=C3)C(N[C@@H](CCCCN)C(N[C@@H](CC4=CC=C(OCC5=CC=CC=C5)C=C4)C(N[C@H]6CC7=CC=CC=C7)=O)=O)=O)=O)[C@@](C[C@@H](O)C8)([H])N8C6=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
Pasireotide Impurity 3 is chemically (3S,6R,9S,12S,15S,19R,20aS)-6-((1H-indol-3-yl)methyl)-9-(4-aminobutyl)-15-benzyl-12-(4-(benzyloxy)benzyl)-19-hydroxy-3-phenyltetradecahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecine-1,4,7,10,13,16-hexaone. Pasireotide Impurity 3 is supplied with detailed characterization data compliant with regulatory guideline. Pasireotide 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 Pasireotide. 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.

Pasireotide 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 Pasireotide Impurity 1
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3S,6R,9S,12S,15S,19R,20aS)-9-(4-aminobutyl)-6-(2-(2-aminophenyl)-2-oxoethyl)-15-benzyl-12-(4-(benzyloxy)benzyl)-1,4,7,10,13,16-hexaoxo-3-phenylicosahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecin-19-yl (2-aminoethyl)carbamate
分子式 C57H66N10O10
分子量 1051.2
InChI
InChI Key
Canonical SMILES O=C(O[C@@H](C1)C[C@](C(N[C@@H](C2=CC=CC=C2)C(N[C@H](CC(C3=CC=CC=C3N)=O)C(N[C@@H](CCCCN)C(N[C@@H](CC4=CC=C(OCC5=CC=CC=C5)C=C4)C(N[C@H]6CC7=CC=CC=C7)=O)=O)=O)=O)=O)([H])N1C6=O)NCCN

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
Pasireotide Impurity 1 is chemically (3S,6R,9S,12S,15S,19R,20aS)-9-(4-aminobutyl)-6-(2-(2-aminophenyl)-2-oxoethyl)-15-benzyl-12-(4-(benzyloxy)benzyl)-1,4,7,10,13,16-hexaoxo-3-phenylicosahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecin-19-yl (2-aminoethyl)carbamate. Pasireotide Impurity 1 is supplied with detailed characterization data compliant with regulatory guideline. Pasireotide 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 Pasireotide. 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.