taurolithocholic acid 3-sulfate
(HSNPMXROZIQAQD-GBURMNQMSA-N)
Structure
- SMILES
- O=C(CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)OS(=O)(=O)O)C)NCCS(=O)(=O)O
- Molecular Formula:
- C26H45NO8S2
- Molecular Weight:
- 563.767
- Log P:
- 6.8061
- Hydrogen Bond Acceptor:
- 9
- Hydrogen Bond Donor:
- 3
- TPSA:
- 163.83
- CAS Number(s):
- 15324-65-9
Synonym(s)
1.
taurolithocholic acid 3-sulfate
2.
(3alpha-sulfato-5beta-cholan-24-oyl)-2'-aminoethanesulfonate
3.
3alpha-sulfatolithocholyltaurine
4.
SLCT-3-sulfate
5.
TLC-S
6.
taurolithocholate 3-sulfate
External Link(s)
| MeSH | C066776 |
| PubChem Compound | 440071 |
| BindingDB | 50375575 |
| ChEBI | 17864 |
| CHEMBL | CHEMBL270493 |
| KEGG | cpd:C03642 |
| ZINC | 4096163 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Pancreatitis | 22517774 | CTD |
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