volixibat (Q27293432)

UNII-X2JZ0451H8 (English)

14 October 2016

chemical formula

C₃₈H₅₁N₃O₁₂S₂

1 reference

UNII-X2JZ0451H8 (English)

14 October 2016

canonical SMILES

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)C(C1O)C3=CC(=CC=C3)NC(=O)NC4C(C(C(C(O4)COS(=O)(=O)O)O)OCC5=CC=CC=C5)O)CC

1 reference

UNII-X2JZ0451H8 (English)

14 October 2016

isomeric SMILES

CCCC[C@@]1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C3=CC(=CC=C3)NC(=O)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)O)O)OCC5=CC=CC=C5)O)CC

1 reference

UNII-X2JZ0451H8 (English)

InChI=1S/C38H51N3O12S2/c1-5-7-18-38(6-2)23-54(46,47)30-17-16-27(41(3)4)20-28(30)31(35(38)44)25-14-11-15-26(19-25)39-37(45)40-36-33(43)34(51-21-24-12-9-8-10-13-24)32(42)29(53-36)22-52-55(48,49)50/h8-17,19-20,29,31-36,42-44H,5-7,18,21-23H2,1-4H3,(H2,39,40,45)(H,48,49,50)/t29-,31-,32-,33-,34+,35-,36-,38-/m1/s1

14 October 2016

Commons category

Volixibat

0 references

Identifiers

InChI

1 reference

UNII-X2JZ0451H8 (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-X2JZ0451H8 (English)

14 October 2016

2 references

UNII

X2JZ0451H8

https://commonchemistry.cas.org/detail?cas_rn=1025216-57-2

volixibat (English)

14 October 2016

7 April 2021

1 reference

volixibat (English)

14 October 2016

2 references

UNII-X2JZ0451H8 (English)

14 October 2016

1 reference

CHEMBL3707222 (English)

14 October 2016

2 references

inferred from InChIKey

1 reference

1 reference

DrugBank ID

DB13914

1 reference

Global Substance Registration System

UNII

X2JZ0451H8

2 references

stated in

UNII

X2JZ0451H8

volixibat (English)

14 October 2016