org-13011 fumarate (Q27285421)

UNII-O6W064NQ9M (English)

14 October 2016

chemical formula

C₂₂H₂₉F₃N₄O₅

1 reference

UNII-O6W064NQ9M (English)

14 October 2016

canonical SMILES

C1CC(=O)N(C1)CCCCN2CCN(CC2)C3=NC=CC(=C3)C(F)(F)F.C(=CC(=O)O)C(=O)O

1 reference

UNII-O6W064NQ9M (English)

14 October 2016

isomeric SMILES

C1CC(=O)N(C1)CCCCN2CCN(CC2)C3=NC=CC(=C3)C(F)(F)F.C(=C/C(=O)O)\C(=O)O

1 reference

UNII-O6W064NQ9M (English)

InChI=1S/C18H25F3N4O.C4H4O4/c19-18(20,21)15-5-6-22-16(14-15)24-12-10-23(11-13-24)7-1-2-8-25-9-3-4-17(25)26;5-3(6)1-2-4(7)8/h5-6,14H,1-4,7-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

14 October 2016

Identifiers

InChI

1 reference

UNII-O6W064NQ9M (English)

KILJTUTVUORPFQ-WLHGVMLRSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-O6W064NQ9M (English)

14 October 2016

1 reference

UNII

O6W064NQ9M

org-13011 fumarate (English)

14 October 2016

1 reference

1-(4-{4-[4-(Trifluoromethyl)-2-pyridinyl]-1-piperazinyl}butyl)-2-pyrrolidinone (2E)-2-butenedioate (1:1) (English)

14 October 2016

1 reference

UNII-O6W064NQ9M (English)

14 October 2016

1 reference

Global Substance Registration System

CHEMBL2074608 (English)

14 October 2016

1 reference

1 reference

UNII

O6W064NQ9M

org-13011 fumarate (English)