Synonym: Taurodeoxycholic-2,2,4,4-d4 acid sodium salt
Empirical Formula (Hill Notation): C26D4H40NNaO6S
Molecular Weight: 525.71
Linear Formula: C26D4H40NO6SNa
Product Type: Chemical
assay |
≥98% (CP) |
form |
powder |
InChI |
1S/C26H45NO6S.Na/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17?,18-,19?,20?,21?,22?,23+,25+,26-;/m1./s1/i10D2,14D2; |
InChI key |
YXHRQQJFKOHLAP-DAGKUMDOSA-M |
isotopic purity |
≥98 atom % D |
mass shift |
M+4 |
Quality Level |
200  |
SMILES string |
C[C@@]12C(CC[C@H]2[C@H](C)CCC(NCCS(=O)(O[Na])=O)=O)C3CCC4C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)C3C[C@@H]1O |
storage temp. |
−20°C |
technique(s) |
mass spectrometry (MS): suitable |
RIDADR |
NONH for all modes of transport |
WGK Germany |
WGK 3 |
Flash Point(F) |
Not applicable |
Flash Point(C) |
Not applicable |
Purity |
≥98% (CP) |
Storage Temp. |
−20°C |
UNSPSC |
12352106 |