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Tauro-d4-ursodeoxycholic Acid, CDN
Specifications
Specifications
| Chemical Name or Material | Tauroursodeoxycholic Acid D4 (taurine-D4) |
| CAS | 2573035-17-1 |
| Molecular Formula | C26 D4 H41 N O6 S |
| Quantity | 0.01 g |
| Synonym | Ethane-1,1,2,2-d4-sulfonic acid, 2-[[(3α,5β,7β)-3,7-dihydroxy-24-oxocholan-24-yl]amino]- (ACI), 2-[[(3α,5β,7β)-3,7-Dihydroxy-24-oxocholan-24-yl]amino]ethane-1,1,2,2-d4-sulfonic acid, Tauro-d4-ursodeoxycholic acid, Tauroursodesoxycholic acid-d4, Tauroursodeoxycholate-d4 (taurine-d4), 3α,7β-Dihydroxy-5β-cholanoyl(taurine-1,1,2,2-d4), Ursodeoxycholyltaurine-d4 |
| InChI Formula | InChI=1 S/C26H45NO6S/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/h16-22,24,28-29 H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1/i12D2,13D2 |
| SMILES | [2 H]C([2 H])(NC(=O)CC[C@@H](C)[C@H]1 CC[C@H]2 [C@@H]3 [C@@H](O)C[C@@H]4 C[C@H](O)CC[C@]4(C)[C@H]3 CC[C@]12 C)C([2 H])([2 H])S(=O)(=O)O |
| IUPAC Name | 1,1,2,2-tetradeuterio-2-[[(4 R)-4-[(3 R,5 S,7 S,8 R,9 S,10 S,13 R,14 S,17 R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1 H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid |
| Molecular Weight (g/mol) | 503.7282 |
| Formula Weight | 503.3219 g/mol |
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