Tauroursodeoxycholic acid
2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
Molecular Identity
Tauroursodeoxycholic acid
2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
PubChem CID: 9848818
Tauroursodeoxycholic acid is a bile acid taurine conjugate derived from ursoodeoxycholic acid. It has a role as a bone density conservation agent, a neuroprotective agent, an anti-inflammatory agent, an apoptosis inhibitor, a cardioprotective agent and a human metabolite. It is functionally related to an ursodeoxycholic acid. It is a conjugate acid of a tauroursodeoxycholate.
2D Structure
Properties
C26H45NO6S
Molecular Formula
499.70
Molecular Weight
g/mol
499.2968
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
132
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
6
H-Bond Acceptors
858
Complexity
SMILES
Canonical SMILES
SMILES: CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)CIsomeric SMILES
SMILES: C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)CSynonyms(20)
Tauroursodeoxycholic acid14605-22-2TUDCAUrsodeoxycholyltaurineTaurursodiolursodoxicoltaurineTauroliteUR 906Tauroursodesoxycholic acidUr-90660EUX8MN5XN-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)-taurineCHEBI:80774N-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)taurine3alpha,7beta-dihydroxy-5beta-cholanoyltaurine
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Tauroursodeoxycholic acid
Loading drug network...