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809721

Sigma-Aldrich

Sodium tauroursodeoxycholate-2,2,4,4-d4

≥98 atom % D, ≥98% (CP)

Synonym(s):

Tauroursodeoxycholic-2,2,4,4-d4 acid sodium salt

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About This Item

Empirical Formula (Hill Notation):
C26D4H40NaNO6S
Molecular Weight:
525.71
UNSPSC Code:
12352106
PubChem Substance ID:
329769182
NACRES:
NA.12

isotopic purity

≥98 atom % D

Quality Level

200

Assay

≥98% (CP)

form

powder

technique(s)

mass spectrometry (MS): suitable

mass shift

M+4

storage temp.

−20°C

SMILES string

C[C@H](CCC(NCCS([O-])(=O)=O)=O)[C@H]1CCC2[C@]3([H])[C@@H](O)C[C@]4([H])C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)[C@@]3([H])CC[C@@]21C.[Na+]

InChI

1S/C26H45NO6S.Na/c1-15(4-7-23(30)27-10-11-34(31,32)33)19-5-6-20-24(19)16(2)12-21-25(20)22(29)14-17-13-18(28)8-9-26(17,21)3;/h15-22,24-25,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t15-,16-,17?,18-,19?,20?,21?,22+,24?,25?,26+;/m1./s1/i8D2,13D2;

InChI key

WRYMNPNETXBBEN-GJDYHZDRSA-M

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

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