Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02CWP
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| Former ID |
DIB021022
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| Drug Name |
taurolithocholic acid-3-sulphate
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| Synonyms |
taurolithocholic acid (TLCA); taurolithocholate; lithocholic acid taurine conjugate; lithocholyltaurine
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C26H45NO5S
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| Canonical SMILES |
CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
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| InChI |
1S/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
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| InChIKey |
QBYUNVOYXHFVKC-GBURMNQMSA-N
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| CAS Number |
CAS 516-90-5
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:36259
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4548). | |||
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