Glycoursodeoxycholic acid

Catalog NumberBL-M000501
CAS Number64480-66-6
DescriptionGlycoursodeoxycholic Acid is a metabolite of Ursodeoxycholic Acid. Ursodeoxycholic Acid is one of metabolites of intestinal bacteria. Ursodeoxycholic Acid shows an effect of apoptosis suppression and reduction in gallstone formation.
IUPAC Name2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
SynonymsUrsodeoxycholylglycine; GUDCA; Glycine ursodeoxycholic acid; N-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)-glycine; N-[(3α,5β,7β)-3,7-dihydroxy-24-oxocholan-24-yl]-glycine
Molecular Weight449.63
Molecular FormulaC26H43NO5
Melting Point223-225°C (dec.)
Purity>99%
SolubilitySoluble in DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
AppearanceWhite to Off-White Solid
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 69.45%, H 9.64%, N 3.12%, O 17.79%
Canonical SMILESCC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
InChIInChI=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
InChI KeyGHCZAUBVMUEKKP-XROMFQGDSA-N

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