GBR-12879 dimesylate (Q15634068)

CHEMBL112280 (English)

14 October 2016

chemical formula

C₃₀H₃₈F₂N₂O₇S₂

1 reference

CHEMBL112280 (English)

14 October 2016

canonical SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC=CC4=CC=CC=C4

1 reference

CHEMBL112280 (English)

14 October 2016

isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C/C=C/C4=CC=CC=C4

1 reference

CHEMBL112280 (English)

InChI=1S/C28H30F2N2O.2CH4O3S/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23;2*1-5(2,3)4/h1-15,28H,16-22H2;2*1H3,(H,2,3,4)/b7-4+;;

14 October 2016

has part(s)

GBR-12879

0 references

Identifiers

InChI

1 reference

CHEMBL112280 (English)

GETNYSZHXJZOLF-RDRKJGRWSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

CHEMBL112280 (English)

14 October 2016

1 reference

UNII

9B7G9F1T4T

gbr-12879 dimesylate (English)

14 October 2016

1 reference

1-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-phenyl-2-propen-1-yl]piperazine methanesulfonate (1:2) (English)

14 October 2016

1 reference

CHEMBL112280 (English)

14 October 2016

1 reference

DSSTOX compound identifier

CHEMBL112280 (English)

14 October 2016

1 reference

0 references

0 references

1 reference

Global Substance Registration System

UNII

9B7G9F1T4T

gbr-12879 dimesylate (English)