Taurocholic acid sodium salt hydrate

Basic Information

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CAS Number

345909-26-4

Molecular Formula

C26H46NNaO8S

Molecular Weight

555.7 g/mol

EINECS

804-788-4

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

White to Off-White

Melting Point

230°C

Water Solubility

Soluble in Water (50 mg/mL - Clear Solution)

Solubility

H2O: 50 mg/mL, clear

SMILES

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CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.O.[Na+]

InChI

InChI=1S/C26H45NO7S.Na.H2O/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);;1H2/q;+1;/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;;/m1../s1

InChIKey

RDAJAQDLEFHVNR-NEMAEHQESA-M

LogP

3.43290

Complexity

897

Synonyms & References

English

Ursodeoxycholic Impurity 14
Taurocholic acid, sodiuM salt hydrate, 98% 25GR
Taurocholic acid, sodiuM salt hydrate, 98% 5GR
2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]aMino]ethanesulfonic Acid
Cholaic Acid SodiuM Salt Hydrate
Cholic Acid Taurine Conjugate SodiuM Salt Hydrate
Cholyltaurine SodiuM Salt Hydrate
N-Choloyltauri
TAUROCHOLIC ACID SODIUM SALT HYDRATE
Natrii Tauroglycocholas
sodium 2-((R)-4-((3R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonate hydrate
Sodium taurocholate hydrate
Taurocholic Acid (sodium hydrate)
Taurocholic Acid Sod
2-[(3α,7α,12α-Trihydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonic acid
3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid N-(2-sulfoethyl)amide
Taurocholi
Taurocholic acid
Taurocholic acid hydrate sodium salt
Taurocholic acid sodium salt
Taurocholic acid,sodiuM salt hydrate 1GR
CID 138114966
Taurocholic Acid Sodium Salt Hydrate
ETHANESULFONIC ACID, 2-(((3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-3,7,12-TRIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)-, SODIUM SALT, HYDRATE (1:1:1)
sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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;hydrate
MFCD00150819
WOX5F63THK
sodium taurocholate monohydrate
Taurocholic acid sodium salt hydrate
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid N-(2-sulfoethyl)amide
Sodium taurocholate hydrate, >=97.0% (TLC)

MDL Number

MFCD00150819

EC Number

804-788-4

Customs Code

29242990

FAQ

What is Taurocholic acid sodium salt hydrate (CAS: 345909-26-4)?

Taurocholic acid sodium salt hydrate (CAS: 345909-26-4) is a bile acid derivative commonly used in pharmaceuticals and research. It is a white or slightly yellowish crystalline powder with a molecular formula of C24H39NaO5·H2O and a melting point around 210-215°C.

What are the main uses of Taurocholic acid sodium salt hydrate (CAS: 345909-26-4)?

Taurocholic acid sodium salt hydrate (CAS: 345909-26-4) is primarily used in pharmaceutical formulations to aid in the treatment of various digestive disorders. It is also used in biochemical and pharmacological research for studying bile acid metabolism and as a reference compound.

Is Taurocholic acid sodium salt hydrate (CAS: 345909-26-4) safe?

Taurocholic acid sodium salt hydrate (CAS: 345909-26-4) is considered safe when used as directed. However, it should be handled with care to avoid skin contact or inhalation of dust. Proper ventilation and personal protective equipment, such as gloves and goggles, are recommended.

How should Taurocholic acid sodium salt hydrate (CAS: 345909-26-4) be stored?

Taurocholic acid sodium salt hydrate (CAS: 345909-26-4) should be stored in a cool, dry place away from direct sunlight and moisture. It should be kept in a tightly closed container to prevent degradation. The ideal storage temperature is between 15-25°C (59-77°F) and relative humidity below 60%.