900036

Sodium taurocholate-2,2,4,4-d₄

≥98 atom % D, ≥98% (CP)

• Synonym(s): Taurocholic-2,2,4,4-d₄ acid sodium salt
• Empirical Formula (Hill Notation): C₂₆D₄H₄₀NaNO₇S
• Molecular Weight: 541.71
• UNSPSC Code: 12352106
• PubChem Substance ID: 329769766
• 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(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 Information

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