Glycoursodeoxycholic acid-[2,2,4,4-d4]
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Category | Toolbox |
Catalog NO. | BPG-3237 |
Product Name | Glycoursodeoxycholic acid-[2,2,4,4-d4] |
CAS | 2044276-17-5 |
Molecular Formula | C26H39D4NO5 |
Molecular Weight | 453.65 |
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Description | Glycoursodeoxycholic acid-[2,2,4,4-d4] is the labelled analogue of Glycoursodeoxycholic Acid. Glycoursodeoxycholic Acid is a bile acid-glycine conjugate produced in the metabolism of ursodeoxycholic acid. It can be used as an anticholelithogenic. |
Synonyms | Glycoursodeoxycholic acid-2,2,4,4-d4; N-[(3α,5β,7β))-3,7-dihydroxy-24-oxocholan-24-yl]Glycine-d4; 3α,7β-Dihydroxy-5β-cholanoylglycine-d4; Glycylursodeoxycholic Acid-d4; N-(3α,7β-Dihydroxy-5β-cholan-24-oyl)glycine-d4; N-[(3α,5β,7β)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine-d4; Ursodeoxycholylglycine-d4; Glycoursodiol-d4; Glycoursodeoxycholic Acid-d4; Glycoursodeoxycholic-2,2,4,4-d4 acid |
IUPAC Name | 2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid |
Canonical SMILES | CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C |
InChI | InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1/i8D2,12D2 |
InChIKey | GHCZAUBVMUEKKP-ODDJOPSVSA-N |
Melting Point | >221°C (dec.) |
Purity | ≥97%; ≥98% atom D |
Solubility | Soluble in Methanol (100 μg/mL); Slightly soluble in DMSO, Ethanol (Heated, Sonicated), Methanol |
Appearance | White Solid |
Shelf Life | 1 Year |
Storage | Store at -20°C |
Exact Mass | 453.34 |
Hygroscopic | No |
Light Sensitive | No |
Percent Composition | C 68.84%, H 10.44%, N 3.09%, O 17.63% |
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