Ursodeoxycholic Acid-d4

CAS: 347841-46-7

Ref. TR-U850007

Product Information

• Name: Ursodeoxycholic Acid-d4
• Synonyms: Cholan-24-oic-2,2,4,4-d4 acid, 3,7-dihydroxy-, (3a,5ß,7ß)-, (3a,5ß,7ß)-3,7-Dihydroxycholan-24-oic-2,2,4,4-d4 acid, Ursodesoxycholic-2,2,4,4-d4 acid, Ursodeoxycholic-2,2,4,4-D4 acid, (3α,5β,7β)-3,7-Dihydroxycholan-24-oic-2,2,4,4-d₄ acid, Cholan-24-oic-2,2,4,4-d₄ acid, 3,7-dihydroxy-, (3α,5β,7β)-, Ursodeoxycholic-2,2,4,4-D4 Acid

Description

Applications Ursodeoxycholic Acid-d4 is a deuterated form of Ursodeoxcholic Acid (U850000), which is used as an anticholelithogenic. Ursodeoxcholic Acid is an epimer with Chenodiol with respect to the hydroxyl group at C7. Ursodeoxycholic Acid-d4 was used as an internal standard for rapid quantification of bile acids by liquid chromatography-tandem mass spectrometry.
References Tint, G.S., et al.: Gastroenterology, 91, 1007 (1986), Poupon, R.E, et al.: N. Engl. J. Med., 324, 1548 (1991), MacKenzie, P., et al.: J. Biol. Chem., 283, 36205 (2008); Scherer, M., et al.: J. Chromatogr. B, 877, 3920 (2009(

• Brand: TRC

Chemical properties

• Molecular weight: 396.60
• Formula: C₂₄H₄H₃₆O₄
• Color/Form: White To Off-White
• InChI: InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1/i8D2,12D2
• InChI key: InChIKey=RUDATBOHQWOJDD-ZWLTWWHISA-N
• SMILES: [2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)C(CC[C@@H]4C(C)CCC(=O)O)C3[C@@H](O)C[C@H]2C([2H])([2H])[C@@H]1O