809691
Sodium taurochenodeoxycholate-2,2,3,4,4,6,6,7,8-d9
≥98 atom % D, ≥98% (CP)
Synonym(s):
Taurochenodeoxycholic-2,2,3,4,4,6,6,7,8-d9 acid sodium salt
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About This Item
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
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
assay
≥98% (CP)
form
powder
technique(s)
mass spectrometry (MS): suitable
mass shift
M+9
Quality Level
Related Categories
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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