809713
Sodium taurolithocholate-2,2,4,4-d4
≥98 atom % D, ≥98% (CP)
Synonym(s):
Taurolithocholic-2,2,4,4-d4 acid sodium salt
About This Item
isotopic purity
≥98 atom % D
Quality Level
Assay
≥98% (CP)
form
powder
technique(s)
mass spectrometry (MS): suitable
mass shift
M+4
storage temp.
−20°C
SMILES string
[2H]C1([2H])[C@@H](O)C([2H])([2H])C(CCC2C3C[C@@H](C)C4C2CC[C@H]4[C@@H](CCC(NCCS([O-])(=O)=O)=O)C)[C@]3(C)C1.[Na+]
InChI
1S/C26H45NO5S.Na/c1-16(4-9-24(29)27-12-13-33(30,31)32)20-7-8-22-21-6-5-18-15-19(28)10-11-26(18,3)23(21)14-17(2)25(20)22;/h16-23,25,28H,4-15H2,1-3H3,(H,27,29)(H,30,31,32);/q;+1/p-1/t16-,17-,18?,19-,20?,21?,22?,23?,25?,26+;/m1./s1/i10D2,15D2;
InChI key
DILZGTVKJIYJMX-LQVGGFRXSA-M
Related Categories
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
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