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809713

Sigma-Aldrich

Sodium taurolithocholate-2,2,4,4-d4

≥98 atom % D, ≥98% (CP)

Synonym(s):

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

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About This Item

Empirical Formula (Hill Notation):
C26D4H40NaNO5S
Molecular Weight:
509.71
UNSPSC Code:
12352106
PubChem Substance ID:
329769181
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

[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

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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