Lithocholicacid-2,2,4,4-d4 , 98atom%D , 83701-16-0

Synonym(s):
(3a,5?)-3-Hydroxycholan-24-oic-2,2,4,4-d₄ acid

CAS NO.：83701-16-0

Empirical Formula: C24H36D4O3

Molecular Weight: 380.6

MDL number: MFCD00190473

PRODUCT Properties

• Melting point: 184-186 °C (lit.)
• storage temp.: -20°C Freezer
• solubility: Chloroform (Slightly, Heated, Sonicated), Ethanol (Slightly), Methanol (Slightly
• form: Solid
• color: White to Off-White
• InChIKey: SMEROWZSTRWXGI-POXZWENPSA-N
• SMILES: [H][C@@]12[C@]([C@](CC([2H])([2H])[C@@H](O)C3([2H])[2H])(C)[C@]3([H])CC2)([H])CC[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(O)=O
• CAS Number Unlabeled: 434-13-9

Description and Uses

A labelled cholic acid derivative as TGR5 modulator. Found in ox bile, human bile, rabbit bile, and in ox and pig gallstones.

Safety

• PPE: Eyeshields, Gloves, type N95 (US)
• Safety Statements: 22-24/25
• WGK Germany: 3
• Storage Class: 11 - Combustible Solids