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Chemical structure of 3-Sulfo-taurocholicAcidDisodiumSalt

GC48400

3-Sulfo-taurocholicAcidDisodiumSalt

Also listed as Taurocholic Acid 3-sulfate (sodium salt)

A metabolite of taurocholic acid

ChemicalCAS71781-33-4MW639.7FormulaC26H43NO10S2•2Na
CAS number
71781-33-4
Molecular weight
639.7
Formula
C26H43NO10S2•2Na
Solubility
DMF： 1 mg/ml,DMSO： 0·3 mg/ml,PBS (pH 7·2)： 1 mg/ml
InChIKey
JDZGOMAYFRJNTP-NEMAEHQESA-L
Catalogue number
GC48400
Brand
GLPBIO
Computed properties PubChem CID 155970342 · TPSA 210 Ų · H-bond donors 3 · H-bond acceptors 10
TPSA
210 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
41

SMILES C[C@H](CCC(=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)OS(=O)(=O)[O-])C)O)O)C.[Na+].[Na+]

Computed descriptors from PubChem (CID 155970342), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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