Tauroselcholic acid

Base Information

• Chemical Name: Tauroselcholic acid
• CAS No.: 75018-71-2
• Molecular Formula: C26H45 N O7 S Se
• Molecular Weight: 594.667
• UNII: H6630PU5ZJ
• DSSTox Substance ID: DTXSID701028204
• Nikkaji Number: J22.775G
• Wikipedia: SeHCAT
• Wikidata: Q27888350
• NCI Thesaurus Code: C152519
• ChEMBL ID: CHEMBL3707263
• Mol file: 75018-71-2.mol

Synonyms:(75)seleno-homocholic acid-taurine;23-seleno-25-homotaurocholic acid;Se(75)HCAT;Se-HCAT;SeHCAT;selenium-75 homocholic acid taurine;tauro-23-selena-25-homotaurocholic acid

Chemical Property of Tauroselcholic acid

Chemical Property:

• PSA: 152.54000
• LogP: 3.60040
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 595.20820
• Heavy Atom Count: 36
• Complexity: 913

Purity/Quality:

99% ^*data from raw suppliers

TAUROSELCHOLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C[Se]CC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
• Isomeric SMILES: C[C@H](C[Se]CC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

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