516-35-8

Name Taurochenodeoxycholic acid
CAS 516-35-8
Molecular Formula C26H45NO6S
MDL Number MFCD00232922
Molecular Weight 499.7
MOL File 516-35-8.mol

Chemical Properties

Melting point  186-200°C
density  1.216±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform, Methanol
form  Solid
pka 1.42±0.50(Predicted)
color  White to Pale Beige
InChIKey BHTRKEVKTKCXOH-ZNKJZDQHNA-N
SMILES [C@@]12([H])CC[C@H]([C@H](C)CCC(=O)NCCS(=O)(=O)O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@@]3([H])C[C@@H](O)[C@@]21[H] |&1:0,4,5,18,22,24,28,31,34,36,r|

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