809713

Sodium taurolithocholate-2,2,4,4-d₄

≥98 atom % D, ≥98% (CP)

• Synonym(s): Taurolithocholic-2,2,4,4-d₄ acid sodium salt
• Empirical Formula (Hill Notation): C₂₆D₄H₄₀NaNO₅S
• Molecular Weight: 509.71
• UNSPSC Code: 12352106
• PubChem Substance ID: 329769181
• NACRES: NA.12

Properties

• 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

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable