Taurochenodeoxycholic Acid-d4 (sodium salt)

Taurochenodeoxycholic acid-d4 is intended for use as an internal standard for the quantification of taurochenodeoxycholic acid (TCDCA, Cay-20275) by GC- or LC-MS. TCDCA is a taurine-conjugated form of the primary bile acid chenodeoxycholic acid (CDCA, Cay-10011286). Serum levels of TCDCA increase approximately 5-fold within two hours and begin to decrease within four hours during an oral lipid tolerance test in humans. Serum levels of TCDCA are increased in patients with liver cirrhosis and may serve as a marker of disease progression.Formal Name: 2-[[(3alpha,5beta,7alpha)-3,7-dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]amino]-ethanesulfonic acid, monosodium salt. CAS Number: 2410279-85-3. Synonyms: Taurochenodeoxycholate-d4, TCDCA-d4. Molecular Formula: C26H40D4NO6S . Na. Formula Weight: 525.7. Purity: >99% deuterated forms (d1-d4). Formulation: (Request formulation change), A solid. Solubility: DMF: 25 mg/ml, DMSO: 20 mg/ml, Ethanol: 2 mg/ml, PBS (pH 7.2): 3 mg/ml. SMILES: C[C@H](CCC(NCCS([O-])(=O)=O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)[C@@]3([H])CC[C@@]21C.[Na+]. InChi Code: InChI=1S/C26H45NO6S.Na/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29,/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33),/q,+1/p-1/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-,/m1./s1/i8D2,14D2,. InChi Key: IYPNVUSIMGAJFC-SWZNJHJNSA-M.