Taurocholic Acid Sodium Hydrate Next Previous

ChEMBL ID CHEMBL1361792
PubChem CID 131675009
DrugBank Accession Number
ClinicalTrials Taurocholic Acid Sodium Hydrate
Molecular Formula C26H46NNaO8S
Inchikey RDAJAQDLEFHVNR-NEMAEHQESA-M

Smiles
O.[Na+].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]3C[C@H](O)[C@]12C

Synonyms
345909-26-4, Taurocholic acid sodium salt hydrate, Sodium taurocholate hydrate, Taurocholic acid sodium salt, MFCD00150819, N-Choloyltaurine Sodium Salt Hydrate, Taurocholic Acid sodium hydrate, Sodium taurocholate dihydrate, 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid N-(2-sulfoethyl)amide, MLS002153446, 145-42-6 (anhydrous), CHEMBL1361792, HMS2234O08, TAUROCHOLICACIDSODIUMSALTHYDRATE, AKOS025310496

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 1
Molecular Species ACID
Molecular Properties
Molecular Weight 555.7
Rotatable Bonds 7
Acidic pKa (ACD) 1.42
Basic pKa (ACD) -
LogP (ACD) 0.25
LogD (ACD) -3.25
ALogP 1.9
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