N-Acetyl Linaclotide Impurity CAS#: 1422389-17-0

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

Identification

英文名 N-Acetyl Linaclotide Impurity
分子结构
CAS编号 1422389-17-0
EINECS Number
MDL Number
Beilstein Registry Number
别名 ((3S,6R,9S,15R,20R,23S,26S,29R,32R,37R,40S,45aS)-32-Acetamido-40-(2-amino-2-oxoethyl)-26-(2-carboxyethyl)-23-(4-hydroxybenzyl)-9-((R)-1-hydroxyethyl)-48,50-dimercapto-3-methyl-1,4,7,10,13,22,25,28,31,38,41,47-dodecaoxotetracontahydro-19H-37,20-(epiminomethano)-6,29-propanopyrrolo[2,1-s][1,2,27,28]tetrathia[5,8,11,14,17,20,23,32,35,38,41]undecaazacyclotritetracontine-15-carbonyl)-L-tyrosine
分子式 C62H83N15O22S6
分子量 1582.8
InChI
InChI Key
Canonical SMILES OC1=CC=C(C=C1)C[C@@H](C(O)=O)NC([C@@H](NC(CNC([C@H]([C@H](O)C)NC([C@@](C(CC2S)S)([H])NC([C@H](C)NC([C@@](CCC3)([H])N3C([C@H](CC(N)=O)NC([C@]4([H])CSSC[C@H](NC(C)=O)C(N[C@]2([H])C(N[C@@H](CCC(O)=O)C(N[C@H]5CC6=CC=C(O)C=C6)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CSSC[C@](C(N4)=O)([H])NC5=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
Use Pattern
N-Acetyl Linaclotide Impurity is chemically ((3S,6R,9S,15R,20R,23S,26S,29R,32R,37R,40S,45aS)-32-Acetamido-40-(2-amino-2-oxoethyl)-26-(2-carboxyethyl)-23-(4-hydroxybenzyl)-9-((R)-1-hydroxyethyl)-48,50-dimercapto-3-methyl-1,4,7,10,13,22,25,28,31,38,41,47-dodecaoxotetracontahydro-19H-37,20-(epiminomethano)-6,29-propanopyrrolo[2,1-s][1,2,27,28]tetrathia[5,8,11,14,17,20,23,32,35,38,41]undecaazacyclotritetracontine-15-carbonyl)-L-tyrosine. N-Acetyl Linaclotide Impurity is supplied with detailed characterization data compliant with regulatory guideline. N-Acetyl Linaclotide 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 Linaclotide. 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.

Acetylated Linaclotide CAS#: N/A

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

Identification

英文名 Acetylated Linaclotide
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 3-(25-Acetamido-6-((1-carboxy-2-(4-hydroxyphenyl)ethyl)carbamoyl)-38-(2-carboxyethyl)-35-(4-hydroxybenzyl)-12-(1-hydroxyethyl)-8,11,14,22,24,32,34,37,40-nonaoxo-15-(2-propionamidopropanamido)-3,4,17,18,27,28-hexathia-7,10,13,23,31,33,36,39-octaazabicyclo[18.12.8]tetracontane-30-carboxamido)-4-cyclopentyl-4-oxobutanoic acid
分子式 C66H89N13O24S6
分子量 1640.9
InChI
InChI Key
Canonical SMILES OC1=CC=C(CC(NC(C(NC(CNC(C(C(O)C)NC(C(CSSCC(CC(N2)=O)C3=O)NC(C(NC(CC)=O)C)=O)=O)=O)=O)CSSCC(NC(C(NC(C(N3)CCC(O)=O)=O)CC4=CC=C(O)C=C4)=O)C(NC(CSSCC(NC(C)=O)C2=O)C(NC(CC(O)=O)C(C5CCCC5)=O)=O)=O)=O)C(O)=O)C=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
Acetylated Linaclotide is chemically 3-(25-Acetamido-6-((1-carboxy-2-(4-hydroxyphenyl)ethyl)carbamoyl)-38-(2-carboxyethyl)-35-(4-hydroxybenzyl)-12-(1-hydroxyethyl)-8,11,14,22,24,32,34,37,40-nonaoxo-15-(2-propionamidopropanamido)-3,4,17,18,27,28-hexathia-7,10,13,23,31,33,36,39-octaazabicyclo[18.12.8]tetracontane-30-carboxamido)-4-cyclopentyl-4-oxobutanoic acid. Acetylated Linaclotide is supplied with detailed characterization data compliant with regulatory guideline. Acetylated Linaclotide 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 Linaclotide. 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.

Linaclotide CAS#: 851199-59-2

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

Identification

英文名 Linaclotide
分子结构
CAS编号 851199-59-2
EINECS Number
MDL Number
Beilstein Registry Number
别名 L-Cysteinyl-L-cysteinyl-L-alpha-glutamyl-L-tyrosyl-L-cysteinyl-L-cysteinyl-L-asparaginyl-L-prolyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteinyl-L-tyrosine Cyclic (1→6),(2→10),(5→13)-Tris(disulfide)
分子式 C59H79N15O21S6
分子量 1526.7
InChI
InChI Key
Canonical SMILES OC1=CC=C(C[C@H](NC([C@@H](NC([C@H](CSSC2)NC([C@H](CSSC3)N)=O)=O)CCC(O)=O)=O)C(N[C@@H](CSSC4)C(N[C@@H]3C(N[C@H](C(N5CCC[C@@]5([H])C(N[C@@H](C)C(N[C@@H]2C(N[C@]([C@@H](C)O)([H])C(NCC(N[C@@H]4C(N[C@@H](CC6=CC=C(O)C=C6)C(O)=O)=O)=O)=O)=O)=O)=O)=O)CC(N)=O)=O)=O)=O)C=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
Linaclotide is chemically L-Cysteinyl-L-cysteinyl-L-alpha-glutamyl-L-tyrosyl-L-cysteinyl-L-cysteinyl-L-asparaginyl-L-prolyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteinyl-L-tyrosine Cyclic (1→6),(2→10),(5→13)-Tris(disulfide). Linaclotide is supplied with detailed characterization data compliant with regulatory guideline. Linaclotide 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 Linaclotide. 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.

Linaclotide Des-Tyrosine Impurity CAS#: N/A

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

Identification

英文名 Linaclotide Des-Tyrosine Impurity
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3S,6R,9R,15R,20R,23S,26S,29R,32R,37R,40S,45aS)-32-amino-40-(2-amino-2-oxoethyl)-26-(2-carboxyethyl)-23-(4-hydroxybenzyl)-9-(1-hydroxyethyl)-3-methyl-1,4,7,10,13,22,25,28,31,38,41,47-dodecaoxotetracontahydro-1H-37,20-(epiminomethano)-6,29-(methanodithiomethano)pyrrolo[2,1-s][1,2,27,28,5,8,11,14,17,20,23,32,35,38,41]tetrathiaundecaazacyclotritetracontine-15-carboxylic acid
分子式 C51H72N14O19S6
分子量 1377.6
InChI
InChI Key
Canonical SMILES O=C([C@@H](NC(CNC([C@@H](C(O)C)NC([C@@](C(CC1S)S)([H])NC([C@H](C)NC([C@@](CCC2)([H])N2C([C@H](CC(N)=O)NC([C@]3([H])CSSC[C@H](N)C(N[C@]1([H])C(N[C@@H](CCC(O)=O)C(N[C@H]4CC5=CC=C(O)C=C5)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CSSC[C@](C(N3)=O)([H])NC4=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
Use Pattern
Linaclotide Des-Tyrosine Impurity is chemically (3S,6R,9R,15R,20R,23S,26S,29R,32R,37R,40S,45aS)-32-amino-40-(2-amino-2-oxoethyl)-26-(2-carboxyethyl)-23-(4-hydroxybenzyl)-9-(1-hydroxyethyl)-3-methyl-1,4,7,10,13,22,25,28,31,38,41,47-dodecaoxotetracontahydro-1H-37,20-(epiminomethano)-6,29-(methanodithiomethano)pyrrolo[2,1-s][1,2,27,28,5,8,11,14,17,20,23,32,35,38,41]tetrathiaundecaazacyclotritetracontine-15-carboxylic acid. Linaclotide Des-Tyrosine Impurity is supplied with detailed characterization data compliant with regulatory guideline. Linaclotide Des-Tyrosine 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 Linaclotide. 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.

Aspartic Acid Linaclotide Impurity CAS#: 1207977-38-5

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

Identification

英文名 Aspartic Acid Linaclotide Impurity
分子结构
CAS编号 1207977-38-5
EINECS Number
MDL Number
Beilstein Registry Number
别名 ((3S,6R,9S,15R,20R,23S,26S,29R,32R,37R,40S,45aS)-32-Amino-26-(2-carboxyethyl)-40-(carboxymethyl)-23-(4-hydroxybenzyl)-9-((R)-1-hydroxyethyl)-3-methyl-1,4,7,10,13,22,25,28,31,38,41,47-dodecaoxotetracontahydro-19H-37,20-(epiminomethano)-6,29-(methanodithiomethano)pyrrolo[2,1-s][1,2,27,28]tetrathia[5,8,11,14,17,20,23,32,35,38,41]undecaazacyclotritetracontine-15-carbonyl)-L-tyrosine
分子式 C59H78N14O22S6
分子量 1527.7
InChI
InChI Key
Canonical SMILES O=C1N2[C@@](C(N[C@H](C(N[C@]3([H])C(N[C@@](C(NCC(N[C@@H](CSSC[C@@]4([H])C(N[C@](CSSC[C@@H](C(N[C@@](C(N[C@H](C(N[C@H](C(N4)=O)CC5=CC=C(C=C5)O)=O)CCC(O)=O)=O)([H])CSSC3)=O)N)([H])C(N[C@H]1CC(O)=O)=O)=O)C(N[C@H](C(O)=O)CC6=CC=C(C=C6)O)=O)=O)=O)([H])[C@H](O)C)=O)=O)C)=O)([H])CCC2

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
Aspartic Acid Linaclotide Impurity is chemically ((3S,6R,9S,15R,20R,23S,26S,29R,32R,37R,40S,45aS)-32-Amino-26-(2-carboxyethyl)-40-(carboxymethyl)-23-(4-hydroxybenzyl)-9-((R)-1-hydroxyethyl)-3-methyl-1,4,7,10,13,22,25,28,31,38,41,47-dodecaoxotetracontahydro-19H-37,20-(epiminomethano)-6,29-(methanodithiomethano)pyrrolo[2,1-s][1,2,27,28]tetrathia[5,8,11,14,17,20,23,32,35,38,41]undecaazacyclotritetracontine-15-carbonyl)-L-tyrosine. Aspartic Acid Linaclotide Impurity is supplied with detailed characterization data compliant with regulatory guideline. Aspartic Acid Linaclotide 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 Linaclotide. 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.