Taurocholic Acid-d4 (sodium salt)

Taurocholic acid-d4 (TCA-d4) is intended for use as an internal standard for the quantification of TCA (Cay-16215) by GC- or LC-MS. TCA is a taurine-conjugated form of the primary bile acid cholic acid (Cay-20250). Serum levels of TCA are decreased in patients with Crohn's disease and those with ulcerative colitis with no extraintestinal manifestations, but are increased in patients with ulcerative colitis accompanied by hepatobiliary disease.Formal Name: 2-[[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]amino]-ethanesulfonic acid, monosodium salt. CAS Number: 2410279-93-3. Synonyms: Ethanesulfonic Acid-d4, TCA-d4. Molecular Formula: C26H40D4NO7S . Na. Formula Weight: 541.7. 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])C[C@H](O)[C@@]21C.[Na+]. InChi Code: InChI=1S/C26H45NO7S.Na/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),/q,+1/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-,/m1./s1/i8D2,12D2,. InChi Key: JAJWGJBVLPIOOH-QPNQQDKZSA-M.