Taurochenodeoxycholic acid sodium

Basic Information

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CAS Number

6009-98-9

Molecular Formula

C26H44NNaO6S

Molecular Weight

521.69 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Solubility

N/A

SMILES

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C[C@H](CCC(NCCS(=O)([O-])=O)=O)[C@H]1CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C.[Na+]

InChI

InChI=1S/C26H45NO6S.Na/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29;/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-;/m1./s1

InChIKey

IYPNVUSIMGAJFC-ULWOGUKGSA-M

LogP

4.52640

Complexity

864

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Sodium taurochenodeoxycholate
Taurochenodeoxycholi
Taurochenodeoxycholic acid sodium salt
Taurochenodeoxycholic acid
2-([3α,7α-Dihydroxy-24-oxo-5β-cholan-24-yl]amino)ethanesulfonic acid sodium salt
3α,7α-Dihydroxy-5β-cholan-24-oic acid N-(2-sulfoethyl)amide sodium salt
12-Deoxycholyltaurine sodium salt
Taurochenodeoxycholic acid sodium

MDL Number

MFCD00036745

FAQ

What is Taurochenodeoxycholic acid sodium (CAS: 6009-98-9)?

Taurochenodeoxycholic acid sodium (CAS: 6009-98-9) is a bile acid derivative with the chemical formula C24H43NaO7S. It is a white crystalline powder, water-soluble, and exhibits detergent properties. Commonly used in pharmaceuticals as a cholagogue, it aids in bile flow and is also a key compound in research for studying bile acid metabolism and liver function.

What are the main uses of Taurochenodeoxycholic acid sodium (CAS: 6009-98-9)?

Taurochenodeoxycholic acid sodium (CAS: 6009-98-9) is primarily used in pharmaceuticals to dissolve gallstones and treat liver diseases. It also serves as a research tool for bile acid-related studies, an industrial surfactant, and a component in analytical reagents. Its applications include drug formulation, medical diagnostics, and biochemical experiments.

Is Taurochenodeoxycholic acid sodium (CAS: 6009-98-9) safe?

Taurochenodeoxycholic acid sodium (CAS: 6009-98-9) is generally safe when used as directed, with low toxicity. However, high doses may cause gastrointestinal discomfort. Safety precautions include wearing gloves and avoiding inhalation during handling. It meets regulatory standards for pharmaceutical use and is considered safe under proper conditions.

How should Taurochenodeoxycholic acid sodium (CAS: 6009-98-9) be stored?

Taurochenodeoxycholic acid sodium (CAS: 6009-98-9) should be stored in a cool, dry place (20-25°C), away from light and moisture. Keep in sealed, airtight containers, preferably glass or plastic, to maintain stability. Avoid exposure to heat or humidity to prevent degradation, and store in a secure location to ensure chemical safety.