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Tauro-d4-chenodeoxycholic Acid Sodium Salt, CDN
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Quantity:
0.005 g
0.01 g
Unit Size:
0.01g
Specifications
Specifications
| Chemical Name or Material | Taurochenodeoxycholic Acid-D4 (taurine-D4) Sodium Salt |
| Molecular Formula | C26 D4 H40 N O6 S . Na |
| Quantity | 0.005 g |
| Synonym | 2-[[(3α,5β,7α)-3,7-Dihydroxy-24-oxocholan-24-yl]amino]ethane-1,1,2,2-d4-sulfonic acid sodium salt, Taurochenodeoxycholic acid-D4 (taurine-D4) sodium salt, Tauro-d4-chenodeoxycholic acid sodium salt, Tauro-d4-chenodesoxycholic acid sodium salt, 3α,7α-Dihydroxy-5β-cholanoyl(taurine-1,1,2,2-d4) sodium salt, Chenodeoxycholyltaurine-d4 sodium |
| InChI Formula | InChI=1 S/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;/h16-22,24,28-29 H,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/i12D2,13D2; |
| SMILES | [Na+].[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 | sodium;1,1,2,2-tetradeuterio-2-[[(4 R)-4-[(3 R,5 S,7 R,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]ethanesulfonate |
| Molecular Weight (g/mol) | 525.7101 |
| Formula Weight | 525.3038 g/mol |
| Percent Purity | 99 atom % D, min 98% Chemical Purity |
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