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809683

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

≥98 atom % D, ≥97% (CP)

Synonym(s):

Taurine, N-(3a,7a-dihydroxy-5β-cholan-24-oyl)- monosodium salt

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About This Item

Empirical Formula (Hill Notation):
C26D4H40NNaO6S
Molecular Weight:
525.71
UNSPSC Code:
12352106
PubChem Substance ID:
329769178
NACRES:
NA.12
Isotopic purity:
≥98 atom % D
Assay:
≥97% (CP)
Mass shift:
M+4
Form:
powder
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isotopic purity

≥98 atom % D

Quality Segment

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

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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