900073

Sodium taurodeoxycholate-2,2,4,4-d₄

≥98 atom % D, ≥98% (CP)

• Synonym(s): Taurodeoxycholic-2,2,4,4-d₄ acid sodium salt
• Linear Formula: C₂₆D₄H₄₀NO₆SNa
• Molecular Weight: 525.71
• UNSPSC Code: 12352106
• PubChem Substance ID: 329769770
• 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: C[C@@]12C(CC[C@H]2[C@H](C)CCC(NCCS(=O)(O[Na])=O)=O)C3CCC4C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)C3C[C@@H]1O
• InChI: 1S/C26H45NO6S.Na/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17?,18-,19?,20?,21?,22?,23+,25+,26-;/m1./s1/i10D2,14D2;
• InChI key: YXHRQQJFKOHLAP-DAGKUMDOSA-M

Safety Information

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