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

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 Structure
CAS No.
516-90-5
Chemical 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
Synonyms
Lithocholyltaurine;Apigenine Impurity 6;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;5β-CHOLANIC ACID-3α-OL N-(2-SULPHOETHYL)-AMIDE;2-[(3α-Hydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonic acid;Ethanesulfonic acid, 2-[[(3α,5β)-3-hydroxy-24-oxocholan-24-yl]amino]-
CBNumber:
CB21236073
Molecular Formula:
C26H45NO5S
Molecular Weight:
483.7
MOL File:
516-90-5.mol
Modify Date:
2023/6/8 9:03:02

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 Properties

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

Risk and Safety Statements

Symbol(GHS) 
GHS02,GHS08
Signal word  Danger
NFPA 704
3
0 0

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 Preparation Products And Raw materials

Raw materials

Preparation Products

Lithocholyltaurine 2-[(3α-Hydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonic acid N-(3α-Hydroxy-24-oxo-5β-cholan-24-yl)taurine Ethanesulfonic acid, 2-[[(3α,5β)-3-hydroxy-24-oxocholan-24-yl]amino]- Taurolithocholic Acid MaxSpec? Standard Taurolithocholic Acid D8 Taurolithocholic acidQ: What is Taurolithocholic acid Q: What is the CAS Number of Taurolithocholic acid Lithocholic acid taurine conjugate Taurodeoxycholic Acid Impurity 3 5β-CHOLANIC ACID-3α-OL N-(2-SULPHOETHYL)-AMIDE Apigenine Impurity 6 516-90-5 C26H45NO5S