Sodium taurochenodeoxycholate-2,2,3,4,4,6,6,7,8-d₉

ALDRICH/809691 - ≥98 atom % D, ≥98% (CP)

Synonym: Taurochenodeoxycholic-2,2,3,4,4,6,6,7,8-d₉ acid sodium salt

Empirical Formula (Hill Notation): C₂₆D₉H₃₅NaNO₆S
Molecular Weight: 530.74
Linear Formula: C₂₆D₉H₃₅NaNO₆S
Product Type: Chemical

assay	≥98% (CP)
form	powder
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/i8D2,14D2,15D2,18D,22D,24D;
InChI key	IYPNVUSIMGAJFC-YHOAHADESA-M
isotopic purity	≥98 atom % D
mass shift	M+9
Quality Level	200
SMILES string	O=C(NCCS(=O)(O[Na])=O)CC[C@@H](C)[C@@H]1CCC2C3([2H])[C@@](O)([2H])C([2H])([2H])C4C([2H])([2H])[C@@](O)([2H])C([2H])([2H])C[C@]4(C)C3CC[C@@]21C
technique(s)	mass spectrometry (MS): suitable

RIDADR

NONH for all modes of transport

Purity	≥98% (CP)
UNSPSC	12352106