739723

Glycocholic-2,2,4,4-d₄ acid

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
• Empirical Formula (Hill Notation): C₂₆D₄H₃₉NO₆
• CAS Number: 1201918-15-1
• Molecular Weight: 469.65
• MDL number: MFCD01861560
• UNSPSC Code: 12352111
• PubChem Substance ID: 329765376

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.

Safety Information

• Pictograms: GHS09
• Hazard Statements: H411
• Precautionary Statements: P273 - P391 - P501
• Hazard Classifications: Aquatic Chronic 2
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable