Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03RKW
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| Former ID |
DIB021023
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| Drug Name |
tauroursodeoxycholic acid
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| Synonyms |
tauroursodeoxycholate; TUDCA
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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 |
C26H45NO6S
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| Canonical SMILES |
CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
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| InChI |
1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1
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| InChIKey |
BHTRKEVKTKCXOH-LBSADWJPSA-N
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| CAS Number |
CAS 14605-22-2
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| PubChem Compound ID | ||||
| PubChem Substance ID |
14810898, 14810899, 24145316, 24899875, 44946884, 50246909, 53789466, 57373529, 85300960, 85856291, 87577325, 91722420, 96023383, 103578993, 104056261, 119501460, 119525251, 131299287, 135062068, 135728429, 137034888, 139088002, 140638574, 162224006, 178101456, 179149950, 184812068, 198951671, 223445758, 226425933
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| ChEBI ID |
CHEBI:80774
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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: 4746). | |||
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