Taurodeoxycholic acid, sodium salt hydrate, 97%, Thermo Scientific Chemicals

Description

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

General Description

• Taurodeoxycholic acid, sodium salt hydrate, is a bile acid that is derived from deoxycholic acid

• It is also a conjugate acid of a taurodeoxycholate with detergent activity • It is formed in the liver by conjugating deoxycholate with a taurine group, commonly found in the form of a sodium salt

Applications

• Taurodeoxycholic acid, sodium salt hydrate has been studied to assess the adsorption of bile acids and salts in vegetable fibrous tissue

• It has been used as an anionic detergent important for protein solubilization

• This compound shows cholagogue and choleretic activities

• It has also been used to explore a methodology for determining conjugated and unconjugated bile salts both in serum and jejunal fluids

Chemical Identifiers

• CAS: 207737-97-1
• Molecular Weight (g/mol): 521.69
• InChI Key: YXHRQQJFKOHLAP-FVCKGWAHSA-M
• PubChem CID: 23702150
• SMILES: [Na+].[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C

• Molecular Formula: C26H44NNaO6S
• MDL Number: MFCD00149238
• Synonym: Sodium taurodeoxylate
• IUPAC Name: 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;hydrate

Specifications

• Color: White
• Physical Form: Crystalline Powder
• Assay Percent Range: 97%
• Molecular Formula: C26H44NNaO6S
• MDL Number: MFCD00149238
• InChI Key: YXHRQQJFKOHLAP-FVCKGWAHSA-M
• IUPAC Name: 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;hydrate
• PubChem CID: 23702150
• Percent Purity: ≥96.0%, 1.0% max. taurine, 1.0% max. sodium taurocholate, 1.0% max. sodium deocycholate (TLC)

• CAS: 207737-97-1
• Infrared Spectrum: Authentic
• Specific Rotation: +34.5° to +36.5° (20°C, 589nm) (c=2.5, water) (calculated on dry substance)
• Water: 7.0% max. (K.F.)
• Synonym: Sodium taurodeoxylate
• SMILES: [Na+].[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C
• Molecular Weight (g/mol): 521.69
• Formula Weight: 521.69
• Chemical Name or Material: Taurodeoxycholic acid, sodium salt hydrate, 97%

Safety and Handling

GHS P Statement Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.

GHS P Statement IF ON SKIN: Wash with plenty of soap and water. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing. Call a POISON CENTER or doctor/physician if you feel unwell. Wear protective gloves/protective clothing/eye protection/face protection.

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Product Identifier

• Taurodeoxycholic acid, sodium salt hydrate

Signal Word

• Warning

Hazard Category

• Serious eye damage/eye irritation Category 2
• Skin corrosion/irritation Category 2
• Specific target organ toxicity Category 3

Hazard Statement

• H319-Causes serious eye irritation.
• H335-May cause respiratory irritation.
• H315-Causes skin irritation.

Precautionary Statement

• P280-Wear protective gloves/protective clothing/eye protection/face protection.
• P302+P352-IF ON SKIN: Wash with plenty of water/.
• P304+P340-IF INHALED: Remove person to fresh air and keep comfortable for breathing.
• P305+P351+P338-IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
• P312-Call a POISON CENTER/doctor/if you feel unwell.

RUO – Research Use Only