Taurodeoxycholic Acid Sodium Salt

Basic Information

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CAS Number

1180-95-6

Molecular Formula

C26H44NNaO6S

Molecular Weight

521.7 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

Melting Point

204-208 ºC

Boiling Point

°Cat760mmHg

Solubility

H2O: 0.5 M at 20 °C, clear, colorless to faintly yellow

Specific Rotation

33 º (c=3, water)

SMILES

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CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+]

InChI

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

InChIKey

YXHRQQJFKOHLAP-FVCKGWAHSA-M

LogP

4.52640

Complexity

864

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1180-95-6
UNII-5PE424S83L
sodium 2-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonate
S-6561
Q27262693
ETHANESULFONIC ACID, 2-(((3.ALPHA.,5.BETA.,12.ALPHA.)-3,12-DIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)-, MONOSODIUM SALT
Sodium 2-(((3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl)amino)ethane-1-sulphonate
HY-128853
AKOS016009415
A836010
Taurodeoxycholic acid sodium salt; Sodium 2-[[(3a,5b,12a)-3,12-dihydroxy-24-oxocholan-24-yl]amino]ethane-1-sulphonate;Taurodeoxycholate sodium salt
NS00045535
sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
Taurodeoxycholate sodium salt
SODIUM TAURODEOXYCHOLATE
Sodium taurodeoxylate
Taurodeoxycholic acid sodium salt
sodium 2-((4R)-4-((3R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonate
5PE424S83L
Sodium 2-[[(3a,5b,12a)-3,12-dihydroxy-24-oxocholan-24-yl]amino]ethane-1-sulphonate
Taurodeoxycholate (sodium salt)
sodium2-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonate
5beta-Cholanic acid-3alpha,12alpha-diol N-(2-sulphoethyl)-amide sodium salt
D70412
A893216
CS-W006298
EINECS 214-652-0
AC-34550
Taurodeoxycholic acid
Taurodeoxychloic Acid Sodium Salt
Sodium taurodeoxycholat

MDL Number

MFCD00003671

FAQ

What is Taurodeoxycholic Acid Sodium Salt (CAS: 1180-95-6)?

Taurodeoxycholic Acid Sodium Salt (CAS: 1180-95-6) is a bile acid derivative used in various applications. It has the chemical formula C24H43NO7Na and is known for its solubility in water. This compound is commonly used as a surfactant and is characterized by its ability to reduce surface tension in aqueous solutions.

What are the main uses of Taurodeoxycholic Acid Sodium Salt (CAS: 1180-95-6)?

Taurodeoxycholic Acid Sodium Salt (CAS: 1180-95-6) is primarily used in pharmaceuticals as a bile acid supplement and in medical imaging. It also finds applications in the food industry as a flavor enhancer and in research for studying bile acid metabolism and interactions. Its surfactant properties make it useful in various industrial processes.

Is Taurodeoxycholic Acid Sodium Salt (CAS: 1180-95-6) safe?

Taurodeoxycholic Acid Sodium Salt (CAS: 1180-95-6) is generally considered safe when used as directed. However, it should be handled with care, especially in high concentrations, to avoid skin or eye irritation. Safety standards and guidelines are in place for its use in pharmaceutical and food applications, ensuring compliance with regulatory requirements.

How should Taurodeoxycholic Acid Sodium Salt (CAS: 1180-95-6) be stored?

Taurodeoxycholic Acid Sodium Salt (CAS: 1180-95-6) should be stored in a cool, dry place away from light. It is typically kept in a sealed container at a temperature below 25°C. Proper storage helps maintain its stability and prevents degradation, ensuring optimal performance in its intended applications.