Taurolithocholic Acid
(QBYUNVOYXHFVKC-GBURMNQMSA-N)
Structure
- SMILES
- O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCS(=O)(=O)O)C)C)C
- Molecular Formula:
- C26H45NO5S
- Molecular Weight:
- 483.704
- Log P:
- 5.8982
- Hydrogen Bond Acceptor:
- 6
- Hydrogen Bond Donor:
- 3
- TPSA:
- 112.08
- CAS Number(s):
- 516-90-5
Synonym(s)
1.
Taurolithocholic Acid
2.
Lithocholyltaurine
3.
Taurine Lithocholate
4.
Taurolithocholate
5.
Taurolithocholic Acid, Monosodium Salt
6.
Acid, Taurolithocholic
7.
Lithocholate, Taurine
External Link(s)
| MeSH | D013658 |
| PubChem Compound | 439763 |
| BindingDB | 50375593 |
| ChEBI | 36259 |
| CHEMBL | CHEMBL408701 |
| IUPHAR/BPS Guide to PHARMACOLOGY | 4548 |
| KEGG | cpd:C02592 |
| Therapeutic Target Database | D02CWP |
| ZINC | 4095893 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Chemical and Drug Induced Liver Injury | 22331495 | CTD | |
| 2 | Cholestasis | CTD |
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