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Chemical structure of Chenyl taurine sodium

GC44992

Chenyl taurine sodium

Also listed as Taurochenodeoxycholic Acid (sodium salt)

Taurochenodeoxycholic acid (12-Deoxycholyltaurine) sodium is one of the main bioactive substances of animals' bile acid

ChemicalCAS6009-98-9MW521.7FormulaC26H44NO6S•Na
CAS number
6009-98-9
Molecular weight
521.7
Formula
C26H44NO6S•Na
Solubility
DMF: 25 mg/ml,DMSO: 20 mg/ml,Ethanol: 2 mg/ml,PBS (pH 7·2): 3 mg/ml
InChIKey
IYPNVUSIMGAJFC-HLEJRKHJSA-M
Catalogue number
GC44992
Brand
GLPBIO
Computed properties PubChem CID 23664008 · TPSA 135 Ų · H-bond donors 3 · H-bond acceptors 6
TPSA
135 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
35

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)C.[Na+]

Computed descriptors from PubChem (CID 23664008), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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