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739723

Glycocholic-2,2,4,4-d₄ acid

Name: Glycocholic-2,2,4,4-d<SUB>4</SUB> acid
Brand: ALDRICH

98 atom % D, 98% (CP)

Synonym(s):

3α,7α,12α-Trihydroxy-5β-cholan-24-oic-2,2,4,4-d₄ acid N-(carboxymethyl)amide, N-(3α,7α,12α-Trihydroxy-24-oxocholan-24-yl)-glycine-2,2,4,4-d₄, Cholylglycine-2,2,4,4-d₄

About This Item

Empirical Formula (Hill Notation):

C₂₆D₄H₃₉NO₆

CAS Number:

1201918-15-1

Molecular Weight:

469.65

UNSPSC Code:

12352111

PubChem Substance ID:

329765376

MDL number:

MFCD01861560

eCl@ss:

32150917

Isotopic purity:

98 atom % D

Assay:

98% (CP)

Mass shift:

M+4

Form:

powder

Properties

isotopic purity

98 atom % D

assay

98% (CP)

form

powder

technique(s)

mass spectrometry (MS): suitable

mp

165-168 °C (lit.)

mass shift

M+4

SMILES string

[H][C@@]12[C@]([C@](CC([2H])([2H])[C@@H](O)C3([2H])[2H])(C)[C@]3([H])C[C@H]2O)([H])C[C@H](O)[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(NCC(O)=O)=O

InChI

1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1/i8D2,10D2

InChI key

RFDAIACWWDREDC-WZQUIQSLSA-N

Description

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact
Stable Isotopes Customer Service.

Hazard Classifications

Aquatic Chronic 2

Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

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