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900036

Sodium taurocholate-2,2,4,4-d₄

Name: Sodium taurocholate-2,2,4,4-d<SUB>4</SUB>
Brand: ALDRICH

≥98 atom % D, ≥98% (CP)

Synonym(s):

Taurocholic-2,2,4,4-d₄ acid sodium salt

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About This Item

Empirical Formula (Hill Notation):

C₂₆D₄H₄₀NaNO₇S

Molecular Weight:

541.71

UNSPSC Code:

12352106

PubChem Substance ID:

329769766

NACRES:

NA.12

Isotopic purity:

≥98 atom % D

Assay:

≥98% (CP)

Mass shift:

M+4

Form:

powder

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Properties

isotopic purity

≥98 atom % D

Quality Segment

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

Description

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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