Allo-7-Ketodeoxycholic acid CAS#: 2590067-38-0

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

Identification

英文名 Allo-7-Ketodeoxycholic acid
分子结构
CAS编号 2590067-38-0
EINECS Number
MDL Number
Beilstein Registry Number
别名 (R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
分子式 C24H38O5
分子量 406.6
InChI
InChI Key
Canonical SMILES O=C(C[C@@]1([H])C[C@@H]2O)[C@@]([C@@](C[C@@H]3O)([H])[C@]1(CC2)C)([H])[C@@](CC[C@]4([H])[C@H](C)CCC(O)=O)([H])[C@@]43C

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
Allo-7-Ketodeoxycholic acid is chemically (R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid. Allo-7-Ketodeoxycholic acid is supplied with detailed characterization data compliant with regulatory guideline. Allo-7-Ketodeoxycholic acid 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 Chenodeoxycholic 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.

Isochenodeoxycholic Acid CAS#: 566-24-5

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

Identification

英文名 Isochenodeoxycholic Acid
分子结构
CAS编号 566-24-5
EINECS Number
MDL Number
Beilstein Registry Number
别名 (R)-4-((3S,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
分子式 C24H40O4
分子量 392.6
InChI
InChI Key
Canonical SMILES C[C@@]1([C@@]2([H])[C@H](C)CCC(O)=O)[C@](CC2)([H])[C@@]([C@@H](C[C@]3([H])C[C@@H](O)CC4)O)([H])[C@]([C@]34C)([H])CC1

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

Chenodeoxycholic Acid EP Impurity H CAS#: 2458-08-4

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

Identification

英文名 Chenodeoxycholic Acid EP Impurity H
分子结构
CAS编号 2458-08-4
EINECS Number
MDL Number
Beilstein Registry Number
别名 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholan-24-oic acid (as per EP)
分子式 C24H38O5
分子量 406.6
InChI
InChI Key
Canonical SMILES C[C@@](CCC(O)=O)([H])[C@@]([C@]12C)([H])CC[C@@]1([H])[C@]3([H])[C@@](O)([H])C[C@]4([H])C[C@@](O)([H])CC[C@]4(C)[C@@]3([H])CC2=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 609843-22-3 (sodium salt)
Use Pattern
Chenodeoxycholic Acid EP Impurity H is chemically 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholan-24-oic acid (as per EP). Chenodeoxycholic Acid EP Impurity H is supplied with detailed characterization data compliant with regulatory guideline. Chenodeoxycholic Acid 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 Chenodeoxycholic 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.

Chenodeoxycholic Acid EP Impurity I CAS#: 2304-92-9

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

Identification

英文名 Chenodeoxycholic Acid EP Impurity I
分子结构
CAS编号 2304-92-9
EINECS Number
MDL Number
Beilstein Registry Number
别名 (R)-4-((5S,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3,7-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
分子式 C24H36O5
分子量 404.5
InChI
InChI Key
Canonical SMILES O=C(C[C@]1([H])CC2=O)[C@@]([C@@](C[C@@H]3O)([H])[C@]1(CC2)C)([H])[C@@](CC[C@]4([H])[C@H](C)CCC(O)=O)([H])[C@@]43C

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 866186-09-6 (hemihydrate)
Use Pattern
Chenodeoxycholic Acid EP Impurity I is chemically (R)-4-((5S,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3,7-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid. Chenodeoxycholic Acid EP Impurity I is supplied with detailed characterization data compliant with regulatory guideline. Chenodeoxycholic Acid EP Impurity I 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 Chenodeoxycholic 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.

Allocholic Acid CAS#: 2464-18-8

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

Identification

英文名 Allocholic Acid
分子结构
CAS编号 2464-18-8
EINECS Number
MDL Number
Beilstein Registry Number
别名 (R)-4-((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
分子式 C24H40O5
分子量 408.6
InChI
InChI Key
Canonical SMILES O[C@H](C[C@@]1([H])C[C@@H]2O)[C@@]([C@@](C[C@@H]3O)([H])[C@]1(CC2)C)([H])[C@@](CC[C@]4([H])[C@H](C)CCC(O)=O)([H])[C@@]43C

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
Allocholic Acid is chemically (R)-4-((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid. Allocholic Acid is supplied with detailed characterization data compliant with regulatory guideline. Allocholic Acid 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 Chenodeoxycholic 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.

Nutriacholic Acid Methyl Ester CAS#: 10538-59-7

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

Identification

英文名 Nutriacholic Acid Methyl Ester
分子结构
CAS编号 10538-59-7
EINECS Number
MDL Number
Beilstein Registry Number
别名 Methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
分子式 C25H40O4
分子量 404.6
InChI
InChI Key
Canonical SMILES C[C@]1(CC2)[C@](CC[C@]1([H])[C@H](C)CCC(OC)=O)([H])[C@@](C(C[C@]3([H])C[C@@H]4O)=O)([H])[C@@]2([H])[C@]3(CC4)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
Nutriacholic Acid Methyl Ester is chemically Methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate. It is also known as 7-ketolithocholic Methyl Ester. Nutriacholic Acid Methyl Ester is supplied with detailed characterization data compliant with regulatory guideline. Nutriacholic 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 Chenodeoxycholic 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.

Taurocholic Acid CAS#: 81-24-3

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

Identification

英文名 Taurocholic Acid
分子结构
CAS编号 81-24-3
EINECS Number
MDL Number
Beilstein Registry Number
别名 2-((R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
分子式 C26H45NO7S
分子量 515.7
InChI
InChI Key
Canonical SMILES O[C@H](C[C@]1([H])C[C@@H]2O)[C@@]([C@@](C[C@@H]3O)([H])[C@]1(CC2)C)([H])[C@@](CC[C@]4([H])[C@H](C)CCC(NCC[S](=O)(O)=O)=O)([H])[C@@]43C

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 345909-26-4 (sodium hydrate)
Use Pattern
Taurocholic Acid is chemically 2-((R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid. Taurocholic Acid is supplied with detailed characterization data compliant with regulatory guideline. Taurocholic Acid 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 Chenodeoxycholic 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.

Chenodeoxycholic Acid Impurity 7 CAS#: 28535-81-1

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

Identification

英文名 Chenodeoxycholic Acid Impurity 7
分子结构
CAS编号 28535-81-1
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-((R)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diyl diacetate
分子式 C29H44O7
分子量 504.7
InChI
InChI Key
Canonical SMILES CC(O[C@H](C[C@]1([H])C[C@@H]2OC(C)=O)[C@@]([C@@](CC3=O)([H])[C@]1(CC2)C)([H])[C@@](CC[C@]4([H])[C@H](C)CCC(OC)=O)([H])[C@@]43C)=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
Chenodeoxycholic Acid Impurity 7 is chemically (3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-((R)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diyl diacetate. Chenodeoxycholic Acid Impurity 7 is supplied with detailed characterization data compliant with regulatory guideline. Chenodeoxycholic Acid Impurity 7 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 Chenodeoxycholic 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.

Chenodeoxycholic acid Impurity 3 CAS#: 6818-44-6

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

Identification

英文名 Chenodeoxycholic acid Impurity 3
分子结构
CAS编号 6818-44-6
EINECS Number
MDL Number
Beilstein Registry Number
别名 (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triyl triacetate
分子式 C31H48O8
分子量 548.7
InChI
InChI Key
Canonical SMILES CC(O[C@H](C[C@]1([H])C[C@@H]2OC(C)=O)[C@@]([C@@](C[C@@H]3OC(C)=O)([H])[C@]1(CC2)C)([H])[C@@](CC[C@]4([H])[C@H](C)CCC(OC)=O)([H])[C@@]43C)=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
Chenodeoxycholic acid Impurity 3 is chemically (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triyl triacetate. Chenodeoxycholic acid Impurity 3 is supplied with detailed characterization data compliant with regulatory guideline. Chenodeoxycholic acid 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 Chenodeoxycholic 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.

Chenodeoxycholic Acid Impurity 8 CAS#: 2304-91-8

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

Identification

英文名 Chenodeoxycholic Acid Impurity 8
分子结构
CAS编号 2304-91-8
EINECS Number
MDL Number
Beilstein Registry Number
别名 (R)-4-((5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
分子式 C24H36O5
分子量 404.5
InChI
InChI Key
Canonical SMILES O[C@H](C[C@]1([H])CC2=O)[C@@]([C@@](CC3=O)([H])[C@]1(CC2)C)([H])[C@@](CC[C@]4([H])[C@H](C)CCC(O)=O)([H])[C@@]43C

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