Obeticholic Acid Impurity 11 CAS#: 863239-59-2

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

Identification

英文名 Obeticholic Acid Impurity 11
分子结构
CAS编号 863239-59-2
EINECS Number
MDL Number
Beilstein Registry Number
别名 Methyl (R)-4-((3R,5R,8S,9S,10R,13R,14S,17R)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
分子式 C27H42O4
分子量 430.6
InChI
InChI Key
Canonical SMILES C[C@@]([C@](C1)([H])/C2=C/C)(CC[C@H]1O)[C@](CC3)([H])[C@](C2=O)([H])[C@@](CC[C@]4([H])[C@H](C)CCC(OC)=O)([H])[C@]34C

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
Obeticholic Acid Impurity 11 is chemically Methyl (R)-4-((3R,5R,8S,9S,10R,13R,14S,17R)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate. Obeticholic Acid Impurity 11 is supplied with detailed characterization data compliant with regulatory guideline. Obeticholic Acid Impurity 11 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 Obeticholic Acid. 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.

Obeticholic Acid Impurity 13 CAS#: 1922968-40-8

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

Identification

英文名 Obeticholic Acid Impurity 13
分子结构
CAS编号 1922968-40-8
EINECS Number
MDL Number
Beilstein Registry Number
别名 (R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-3-((tert-butyldimethylsilyl)oxy)-6-ethyl-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
分子式 C32H58O4Si
分子量 534.9
InChI
InChI Key
Canonical SMILES C[C@@]([C@](C1)([H])[C@H]2CC)(CC[C@H]1O[Si](C)(C)C(C)(C)C)[C@](CC3)([H])[C@]([C@@H]2O)([H])[C@@](CC[C@]4([H])[C@H](C)CCC(O)=O)([H])[C@]34C

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
Obeticholic Acid Impurity 13 is chemically (R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-3-((tert-butyldimethylsilyl)oxy)-6-ethyl-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid. Obeticholic Acid Impurity 13 is supplied with detailed characterization data compliant with regulatory guideline. Obeticholic Acid Impurity 13 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 Obeticholic Acid. 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.

Obeticholic Acid Impurity 10 CAS#: N/A

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

Identification

英文名 Obeticholic Acid Impurity 10
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (R)-4-((3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-(((R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)oxy)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
分子式 C48H78O7
分子量 767.1
InChI
InChI Key
Canonical SMILES [H][C@@]1(O)CC[C@@]2(C)[C@@](C[C@@]([H])(O)[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@]([H])(C)CCC(O[C@@]5([H])C[C@](C[C@@]([H])(O)[C@]6([H])[C@]7([H])CC[C@@]8(C)[C@@]6([H])CC[C@]8([H])[C@]([H])(C)CCC(O)=O)([H])[C@]7(C)CC5)=O)([H])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
Obeticholic Acid Impurity 10 is chemically (R)-4-((3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-(((R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)oxy)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid. Obeticholic Acid Impurity 10 is supplied with detailed characterization data compliant with regulatory guideline. Obeticholic Acid Impurity 10 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 Obeticholic Acid. 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.

Obeticholic Acid Impurity 8 CAS#: 2241488-19-5

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

Identification

英文名 Obeticholic Acid Impurity 8
分子结构
CAS编号 2241488-19-5
EINECS Number
MDL Number
Beilstein Registry Number
别名 (R)-4-((3R,5R,7R,8S,9S,10R,13R,14S,17R,E)-6-ethylidene-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
分子式 C26H42O4
分子量 418.6
InChI
InChI Key
Canonical SMILES C[C@@]12[C@]3([H])[C@]([C@H](/C([C@]1([H])C[C@@H](CC2)O)=C/C)O)([H])[C@@]4([H])[C@](CC3)([C@@](CC4)([H])[C@H](C)CCC(O)=O)C

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
Obeticholic Acid Impurity 8 is chemically (R)-4-((3R,5R,7R,8S,9S,10R,13R,14S,17R,E)-6-ethylidene-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid. Obeticholic Acid Impurity 8 is supplied with detailed characterization data compliant with regulatory guideline. Obeticholic Acid Impurity 8 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 Obeticholic Acid. 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.

Obeticholic Acid Impurity 12 CAS#: 1516887-33-4

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

Identification

英文名 Obeticholic Acid Impurity 12
分子结构
CAS编号 1516887-33-4
EINECS Number
MDL Number
Beilstein Registry Number
别名 (R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-Ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
分子式 C26H40O4
分子量 416.6
InChI
InChI Key
Canonical SMILES C[C@@]([C@](C1)([H])/C2=CC)(CC[C@H]1O)[C@](CC3)([H])[C@](C2=O)([H])[C@@](CC[C@]4([H])[C@H](C)CCC(O)=O)([H])[C@]34C

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
Obeticholic Acid Impurity 12 is chemically (R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-Ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid. Obeticholic Acid Impurity 12 is supplied with detailed characterization data compliant with regulatory guideline. Obeticholic Acid Impurity 12 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 Obeticholic Acid. 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.

Obeticholic Acid Dimer CAS#: 1908444-28-9

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

Identification

英文名 Obeticholic Acid Dimer
分子结构
CAS编号 1908444-28-9
EINECS Number
MDL Number
Beilstein Registry Number
别名 (R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-(((R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)oxy)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
分子式 C52H86O7
分子量 823.3
InChI
InChI Key
Canonical SMILES C[C@@]([C@]1([H])[C@@H](CC)[C@H]2O)(CC[C@@H](OC(CC[C@H]([C@](CC[C@@]3([H])[C@@]([C@@H]([C@H](CC)[C@]4([H])C[C@H](O)CC5)O)([H])[C@]([C@]45C)([H])CC6)([H])[C@]36C)C)=O)C1)[C@]7([H])[C@]2([H])[C@@](CC[C@]8([H])[C@H](C)CCC(O)=O)([H])[C@]8(C)CC7

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
Obeticholic Acid Dimer is chemically (R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-(((R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)oxy)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid. It is also known as 7-Epi-Obeticholic Acid 3-Obeticholate Ester. Obeticholic Acid Dimer is supplied with detailed characterization data compliant with regulatory guideline. Obeticholic Acid Dimer 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 Obeticholic Acid. 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.

Obeticholic Acid Impurity 9 CAS#: 2055651-18-6

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

Identification

英文名 Obeticholic Acid Impurity 9
分子结构
CAS编号 2055651-18-6
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4R)-4-((3R,6R,7R,8S,9S,10S,13R,14S,17R)-3-acetoxy-6-ethyl-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
分子式 C28H46O5
分子量 462.7
InChI
InChI Key
Canonical SMILES O[C@@H]1[C@H](CC)C2C[C@H](OC(C)=O)CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@H](C)CCC(O)=O)CC[C@@]4([H])[C@]13[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
Use Pattern
Obeticholic Acid Impurity 9 is chemically (4R)-4-((3R,6R,7R,8S,9S,10S,13R,14S,17R)-3-acetoxy-6-ethyl-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid. Obeticholic Acid Impurity 9 is supplied with detailed characterization data compliant with regulatory guideline. Obeticholic Acid Impurity 9 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 Obeticholic Acid. 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.

Obeticholic Acid Impurity 6 CAS#: 459789-98-1

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

Identification

英文名 Obeticholic Acid Impurity 6
分子结构
CAS编号 459789-98-1
EINECS Number
MDL Number
Beilstein Registry Number
别名 Ethyl (R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
分子式 C28H48O4
分子量 448.7
InChI
InChI Key
Canonical SMILES C[C@@]([C@]1([H])[C@@H](CC)[C@H]2O)(CC[C@@H](O)C1)[C@]3([H])[C@]2([H])[C@@](CC[C@]4([H])[C@H](C)CCC(OCC)=O)([H])[C@]4(C)CC3

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
Obeticholic Acid Impurity 6 is chemically Ethyl (R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate. Obeticholic Acid Impurity 6 is supplied with detailed characterization data compliant with regulatory guideline. Obeticholic Acid Impurity 6 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 Obeticholic Acid. 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.

Obeticholic Acid Methyl Ester CAS#: 951694-73-8

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

Identification

英文名 Obeticholic Acid Methyl Ester
分子结构
CAS编号 951694-73-8
EINECS Number
MDL Number
Beilstein Registry Number
别名 Methyl (R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
分子式 C27H46O4
分子量 434.7
InChI
InChI Key
Canonical SMILES C[C@@]([C@]1([H])[C@@H](CC)[C@H]2O)(CC[C@@H](O)C1)[C@]3([H])[C@]2([H])[C@@](CC[C@]4([H])[C@H](C)CCC(OC)=O)([H])[C@]4(C)CC3

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
Obeticholic Acid Methyl Ester is chemically Methyl (R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate. Obeticholic Acid Methyl Ester is supplied with detailed characterization data compliant with regulatory guideline. Obeticholic Acid Methyl Ester 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 Obeticholic Acid. 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.

Obeticholic Acid-[PEG]-n-Ester CAS#: N/A

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

Identification

英文名 Obeticholic Acid-[PEG]-n-Ester
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4R)-4-((3R,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid polyethylene glycol ester
分子式 NA
分子量
InChI
InChI Key
Canonical SMILES C[C@@]([C@]1([H])[C@@H](CC)[C@H]2O)(CC[C@@H](O)C1)[C@]3([H])[C@]2([H])[C@@](CC[C@]4([H])[C@H](C)CCC(OCCO)=O)([H])[C@]4(C)CC3

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
Obeticholic Acid-[PEG]-n-Ester is chemically (4R)-4-((3R,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid polyethylene glycol ester. Obeticholic Acid-[PEG]-n-Ester is supplied with detailed characterization data compliant with regulatory guideline. Obeticholic Acid-[PEG]-n-Ester 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 Obeticholic Acid. 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.