Sulfolithocholic Acid Trimethylamine Salt

CAS: 34669-57-3

Ref. TR-S689125

Información del producto

• Nombre: Sulfolithocholic Acid Trimethylamine Salt
• Sinónimos: 3a-Sulfate-5ß-cholan-24-oic Acid Trimethylamine Salt, Lithocholic Acid 3-O-Sulfate Trimethylamine Salt, Lithocholic Acid 3a-Sulfate Trimethylamine Salt, (3a,5ß)-3-(Sulfooxy)-cholan-24-oic Acid Trimethylamine Salt, (3α,5β)-3-(Sulfooxy)cholan-24-oic acid, 3α-Sulfate-5β-cholan-24-oic acid, Cholan-24-Oic Acid, 3-(Sulfooxy)-, (3Alpha,5Beta)-, Cholan-24-oic acid, 3-(sulfooxy)-, (3α,5β)-, Lithocholic acid 3-O-sulfate, Lithocholic acid 3α-sulfate, Sulfolithocholic acid

Descripción

Applications Sulfolithocholic Acid is an derivative of Lithocholic Acid (L469180), a cholic acid derivative and TGR5 modulator found in ox bile, human bile, rabbit bile, and in ox and pig gallstones.
References Kelsey, M. I., et al.: Chem. Carcinogen., 14, 205 (1981);

• Marca: TRC

Propiedades químicas

• Peso molecular: 515.75
• Fórmula: C₂₇H₄₉NO₆S
• Color/Forma: Neat
• InChI: InChI=1S/C24H40O6S.C3H9N/c1-15(4-9-22(25)26)19-7-8-20-18-6-5-16-14-17(30-31(27,28)29)10-12-23(16,2)21(18)11-13-24(19,20)3;1-4(2)3/h15-21H,4-14H2,1-3H3,(H,25,26)(H,27,28,29);1-3H3/t15-,16-,17-,18+,19-,20+,21+,23+,24-;/m1./s1
• Clave InChI: InChIKey=KPKQRQCXEVGLHN-DGMAEHPPSA-N
• SMILES: CN(C)C.C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C