861960

Taurocholic acid sodium salt hydrate

97%

• Synonym(s): 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, Sodium taurocholate hydrate
• Empirical Formula (Hill Notation): C₂₆H₄₄NNaO₇S · xH₂O
• CAS Number: 345909-26-4
• Molecular Weight: 537.68 (anhydrous basis)
• EC Number: 205-653-7
• MDL number: MFCD00150819
• UNSPSC Code: 12161900
• PubChem Substance ID: 24888565

Properties

• Assay: 97%
• optical activity: [α]20/D +22°, c = 3 in H₂O
• mol wt: micellar avg mol wt 2100
• aggregation number: 4
• CMC: 3-11 mM (20-25°C)
• SMILES string: [Na+].[H]O[H].[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@H](CC[C@@]4([H])[C@]3([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=O
• 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
• InChI key: RDAJAQDLEFHVNR-NEMAEHQESA-M

Description

Application

Anionic detergent used for protein solubilization.

Biochem/physiol Actions

Non-sulfated bile salt, physiological transport substrate for the bile salt export pump/sister of Pgp (BSEP/spgp), Na⁽⁺⁾/taurocholate cotransporter (NTCP) and MRP3 into the hepatic carnalicular.