TAK-779 cation (Q27088930)

TAK779 (English)

3 October 2016

C₃₃H₃₉N₂O₂⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=CC=C(C=C1)C2=CC3=C(CCCC(=C3)C(=O)NC4=CC=C(C=C4)C[N+](C)(C)C5CCOCC5)C=C2

1 reference

InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1

TAK779 (English)

retrieved

20 November 2016

Identifiers

InChI

1 reference

TAK779 (English)

20 November 2016

1 reference

Global Substance Registration System

TAK779 (English)

20 November 2016

1 reference

UNII

RN3X97C29H

tak-779 cation (English)

20 November 2016

1 reference

N,N-Dimethyl-N-[4-({[2-(4-methylphenyl)-6,7-dihydro-5H-benzo[7]annulen-8-yl]carbonyl}amino)benzyl]tetrahydro-2H-pyran-4-aminium (English)

20 November 2016

2 references

matched by identifier from

TAK779 (English)

retrieved

20 November 2016

InChIKey

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

CHEMBL1178786 (English)

20 November 2016

1 reference

2 references

matched by identifier from

InChIKey

DSSTOX compound identifier

DTXCID60103465

0 references

Guide to Pharmacology Ligand ID

783

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

783

Global Substance Registration System

TAK-779 (English)

20 November 2016

2 references

UNII

RN3X97C29H

matched by identifier from

tak-779 cation (English)

retrieved

20 November 2016

InChIKey