Glycoursodeoxycholic acid

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For Research Use Only.
Category
Steroids
Cat.No.
NP6055
CAS
64480-66-6
Product Name
Glycoursodeoxycholic acid
Structure

Product Details

Description
Glycoursodeoxycholic 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.
Synonyms
Ursodeoxycholylglycine; 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
IUPAC Name
2-[[(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
Molecular Weight
449.63
Molecular Formula
C26H43NO5
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
InChIKey
GHCZAUBVMUEKKP-XROMFQGDSA-N
Melting Point
223-225°C (dec.)
Purity
>99%
Solubility
Soluble in DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
Appearance
White to Off-White Solid
Shelf Life
1 Year
Storage
Store at -20°C
Chemical Properties
Off-White Solid
Definition
ChEBI: A bile acid glycine conjugate derived from ursoodeoxycholic acid.
EINECS
1592732-453-0
MDL
MFCD00137427
NACRES
NA.25
Uses
As a metabolite of Ursodeoxycholic Acid, Glycoursodeoxycholic Acid is used as an anticholelithogenic.
WGK Germany
3
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