809683

Sodium taurochenodeoxycholate-2,2,4,4-d₄

≥98 atom % D, ≥97% (CP)

• Synonym(s): Taurine, N-(3a,7a-dihydroxy-5ß-cholan-24-oyl)- monosodium salt
• Empirical Formula (Hill Notation): C₂₆D₄H₄₀NNaO₆S
• Molecular Weight: 525.71
• UNSPSC Code: 12352106
• PubChem Substance ID: 329769178
• NACRES: NA.12

Properties

• isotopic purity: ≥98 atom % D
• Quality Level: 200
• Assay: ≥97% (CP)
• form: powder
• technique(s): mass spectrometry (MS): suitable
• mass shift: M+4
• storage temp.: −20°C
• SMILES string: O=C(NCCS(=O)(O[Na])=O)CC[C@@H](C)[C@@H]1CCC2C3[C@H](O)CC4C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)C3CC[C@@]21C
• InChI: 1S/C26H45NO6S.Na/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29;/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17?,18-,19?,20?,21?,22-,24?,25+,26-;/m1./s1/i8D2,14D2;
• InChI key: IYPNVUSIMGAJFC-JKQLTFHSSA-M

Safety Information

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