Taurodeoxycholic acid, sodium salt hydrate, 97%, ACROS Organics™

Brand:  Acros Organics 336840050

Product Code. 10011751

Chemical Identifiers

• CAS: 207737-97-1
• Molecular Weight (g/mol): 539.704
• InChI Key: OLPIZAYYAVQETM-GGPRKOIFSA-M
• PubChem CID: 23702150
• SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.O.[Na+]

• Molecular Formula: C26H46NNaO7S
• 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

• Chemical Name or Material: Taurodeoxycholic acid, sodium salt hydrate
• CAS: 207737-97-1
• Chloride: 0.5% max.
• Assay Percent Range: 97%
• MDL Number: MFCD00149238
• Packaging: Glass bottle
• InChI Key: OLPIZAYYAVQETM-GGPRKOIFSA-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
• Physical Form: Crystalline Powder
• Specific Rotation: +34.5° to +36.5° (20°C, 589nm) (c=2.5, water) (calculated on dry substance)
• Specific Rotation Condition: +33.00 (20.00°C c=3,water)
• Quantity: 5g

• Name Note: 97%
• Appearance of Solution: (5% aq. soln.) clear colorless to faint yellow
• Heavy Metals (as Pb): 20ppm max.
• Molecular Formula: C26H46NNaO7S
• Infrared Spectrum: Authentic
• Synonym: Sodium taurodeoxylate
• SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.O.[Na+]
• Molecular Weight (g/mol): 539.704
• Formula Weight: 521.69
• Percent Purity: ≥96.0%, 1.0% max. taurine, 1.0% max. sodium taurocholate, 1.0% max. sodium deocycholate (TLC)
• Water: 7% Max. (K.F.)
• Color: White

Safety and Handling

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.