MetaADEDB 2.0 @ LMMD
tauroursodeoxycholic acid
(BHTRKEVKTKCXOH-LBSADWJPSA-N)
Structure
SMILES
O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCS(=O)(=O)O)C)C)O)C
Type(s)
Experimental; Investigational
Molecular Formula:
C26H45NO6S
Molecular Weight:
499.704
Log P:
4.8690
Hydrogen Bond Acceptor:
7
Hydrogen Bond Donor:
4
TPSA:
132.31
CAS Number(s):
14605-22-2
Synonym(s)
1.
tauroursodeoxycholic acid
2.
TUDCA
3.
tauroursodeoxycholate
4.
tauroursodeoxycholic acid, (3alpha,5alpha,7alpha)-isomer
5.
tauroursodeoxycholic acid, monosodium salt, (3alpha,5beta,7alpha)-isomer
6.
tauroursodeoxycholic acid, monosodium salt, (3alpha,7alpha)-isomer
External Link(s)
MeSHC031655
PubChem Compound9848818
BindingDB50236230
ChEBI80774
CHEMBLCHEMBL272427
DrugBankDB08834
IUPHAR/BPS Guide to PHARMACOLOGY4746
KEGGcpd:C16868
Therapeutic Target DatabaseD03RKW
ZINC3914813
Adverse Drug Event(s)
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