Ursodeoxycholic acid-2,2,4,4-d4（Cat No.:S000795） is a specialized form of ursodeoxycholic acid (UDCA), a bile acid derivative used to dissolve gallstones and treat cholestatic liver diseases. The “2,2,4,4-d4” designation indicates that four specific hydrogen atoms in the UDCA molecule are replaced with deuterium, a stable isotope of hydrogen, at positions 2 and 4. This isotopic labeling facilitates precise tracking of UDCA metabolism and its incorporation into bile acid pathways using advanced analytical techniques like mass spectrometry. Ursodeoxycholic acid-2,2,4,4-d4 serves as a valuable tool in pharmacological studies, aiding in elucidating drug metabolism and investigating its therapeutic efficacy in liver disorders.
| Catalog Number | S000795 |
| CAS Number | 347841-46-7 |
| Molecular Formula | C24H36D4O4 |
| Purity | ≥95% |
| IUPAC Name | (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| InChI | InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1/i8D2,12D2 |
| InChIKey | RUDATBOHQWOJDD-QGCKUCIHSA-N |
| SMILES | CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C |
