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516-90-5

516-90-5 Structure

516-90-5 Structure
IdentificationBack Directory
[Name]

2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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]ethanesulfonic acid
[CAS]

516-90-5
[Synonyms]

Lithocholyltaurine
Taurolithocholic Acid D8
Taurodeoxycholic Acid Impurity 3
Lithocholic acid taurine conjugate
Taurolithocholic Acid MaxSpec? Standard
N-(3α-Hydroxy-24-oxo-5β-cholan-24-yl)taurine
2-[(3α-Hydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonic acid
Ethanesulfonic acid, 2-[[(3α,5β)-3-hydroxy-24-oxocholan-24-yl]amino]-
Taurolithocholic acidQ: What is Taurolithocholic acid Q: What is the CAS Number of Taurolithocholic acid
2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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]ethanesulfonic acid
[Molecular Formula]

C26H45NO5S
[MDL Number]

MFCD00200615
[MOL File]

516-90-5.mol
[Molecular Weight]

483.7
Chemical PropertiesBack Directory
[Melting point ]

212-213 °C
[density ]

1.0476 (rough estimate)
[refractive index ]

1.5650 (estimate)
[storage temp. ]

-20°C
[pka]

1.42±0.50(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]


GHS02,GHS08
[Signal word ]

Danger
Hazard InformationBack Directory
[Definition]

ChEBI: Taurolithocholic acid is the bile acid taurine conjugate of lithocholic acid. It has a role as a human metabolite. It is a monocarboxylic acid amide and a bile acid taurine conjugate. It is functionally related to a lithocholic acid. It is a conjugate acid of a taurolithocholate.
[storage]

-20°C
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