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900036 Sigma-Aldrich

Sodium taurocholate-2,2,4,4-d4

≥98 atom % D, ≥98% (CP)

Synonym: Taurocholic-2,2,4,4-d4 acid sodium salt

  • Empirical Formula (Hill Notation) C26D4H40NaNO7S

  • Molecular Weight 541.71

  •  PubChem Substance ID 329769766

  •  NACRES NA.12

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Properties

Related Categories Alphabetical Listings, Metabolites, Metabolites and Bioactive Compounds, Q-S, Stable Isotopes More...
Quality Level   200
isotopic purity   ≥98 atom % D
assay   ≥98% (CP)
application(s)   mass spectrometry (MS): suitable
mass shift   M+4
SMILES string   [2H]C1([2H])[C@H](O)C([2H])([2H])C(C[C@@H](O)C2C3C[C@H](O)[C@@]4(C)C2CC[C@H]4[C@@H](CCC(NCCS(=O)([O-])=O)=O)C)[C@]3(C)C1.[Na+]
InChI   1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16?,17+,18?,19?,20?,21-,22+,24?,25+,26-;/m1./s1/i8D2,12D2;
InChI key   JAJWGJBVLPIOOH-FAHHLWHHSA-M
Safety & Documentation

Safety Information

RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

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