Tauroursodeoxycholate
Grundinformationen
- CAS
632-26-8- Standard-SMILES
C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
BHTRKEVKTKCXOH-LBSADWJPSA-M- Summenformel
- C26H44NO6S-
- Durchschnittliche Molmasse
- 498,7 g/mol
- Monoisotopische Masse
- 498,2889343
Überblick
Tauroursodeoxycholate is an organosulfonate oxoanion that is the conjugate base of tauroursodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3. It is a cholanic acid conjugate anion and an organosulfonate oxoanion. It is a conjugate base of a tauroursodeoxycholic acid.
Namen und Bezeichner
- Bevorzugter Name
- Tauroursodeoxycholate
- IUPAC
- 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]ethanesulfonate
Namen und Synonyme
CHEBI:132028RefChem:891200TauroursodeoxycholateN-ursodeoxycholoyltaurine(1-)DTXSID501120260Q27225369N-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)taurine(1-)2-[(3alpha,7beta-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate2-[(3alpha,7beta-Dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethane-1-sulfonate2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethane-1-sulfonate632-26-8Ethanesulfonic acid, 2-[[(3I+/-,5I(2),7I(2))-3,7-dihydroxy-23-oxo-24-norcholan-23-yl]amino]-, ion(1-)
Datenbank-Bezeichner
- CAS
632-26-8- PubChem CID
- 51397976
- DTXSID
DTXSID501120260- ChEBI
CHEBI:132028
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 135 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 34
- Formalladung
- -1
- Komplexität
- 845
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Gastrointestinal agents that stimulate the flow of bile into the duodenum (cholagogues) or stimulate the production of bile by the liver (choleretic).
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