| Identification | |
| Name: | Ethanesulfonic acid,2-[[(3a,5b)-3-hydroxy-24-oxocholan-24-yl]amino]- |
| Synonyms: | Taurine,N-(3a-hydroxy-5b-cholan-24-oyl)- (8CI);Taurolithocholic acid (6CI,7CI); Cholane, ethanesulfonic acid deriv.; 3a-Hydroxy-5b-cholanoyltaurine; 3a-Hydroxy-N-(2-sulfoethyl)-5b-cholan-24-amide; Lithocholicacid taurine conjugate; Lithocholyltaurine |
| CAS: | 516-90-5 |
| Molecular Formula: | C26H45 N O5 S |
| Molecular Weight: | 483.78 |
| InChI: | InChI=1/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1 |
| Molecular Structure: |  |
| Properties | |
| Melting Point: | 81-82 deg C |
| Flash Point: | °C |
| Boiling Point: | °Cat760mmHg |
| Density: | 1.169g/cm3 |
| Refractive index: | 1.54 |
| Solubility: | Freely soluble in methanol, acetone, ethanol, tetrahydrofuran; very soluble in acetonitrile. In water, 0.5 mg/mL at 25 deg C; solubility is dependent of pH in the physiological range. |
| Specification: |
Taurolithocholic acid , its cas register number is 516-90-5. It also can be called 2-(((3-alpha,5-beta)-3-Hydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid ; Lithocholic acid taurine conjugate ; Lithocholyltaurine ; Ethanesulfonic acid, 2-(((3-alpha,5-beta)-3-hydroxy-24-oxocholan-24-yl)amino)- ; Ethanesulfonic acid, 2-(((3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl)amino)- ; Taurine, N-(3-alpha-hydroxy-5-beta-cholan-24-oyl)- (8CI) ; Taurolithocholic acid (6CI,7CI) . |
| Flash Point: | °C |
| Color: | Crystals from ethyl acetate/cyclohexane Off-white powder |
| Safety Data | |
 |
|
