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Ursodeoxycholic Acid-d5 Methyl Ester

For research use only. Not for therapeutic Use.

 

  • CAT Number: R006131
  • CAS Number: 93701-19-0
  • Molecular Formula: C25H42O4
  • Molecular Weight: 411.64
  • Purity: ≥95%

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Ursodeoxycholic Acid-d5 Methyl Ester（Cat No.:R006131） is a deuterated derivative of Ursodeoxycholic Acid, where five hydrogen atoms are replaced with deuterium. This modification boosts its stability and makes it highly effective for use in mass spectrometry and pharmacokinetic studies, particularly in researching bile acid metabolism and liver diseases. It serves as a crucial analytical tool in the development and optimization of therapeutic strategies for conditions such as cholestatic liver diseases and gallstones. Ursodeoxycholic Acid-d5 Methyl Ester’s enhanced molecular stability facilitates accurate and consistent detection and quantification in biochemical assays and clinical research.

CAS Number 93701-19-0
Synonyms (3α,5β,7β)-3,7-Dihydroxycholan-24-oic-2,2,3,4,4-d5 Acid Methyl Ester; 3α,7β-Dihydroxy-5β-cholanic Acid-d5 Methyl Ester; Methyl 3α,7β-Dihydroxy-5β-cholanoate-d5; Methyl Ursodeoxycholate-d5;
Molecular Formula C25H42O4
Purity ≥95%
Storage 2°C to 8°C
IUPAC Name methyl (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7-dihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
InChI InChI=1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+,23+,24+,25-/m1/s1/i9D2,13D2,17D
InChIKey GRQROVWZGGDYSW-IMKCYHQTSA-N
SMILES [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)OC)C)C)([2H])[2H])O
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