pumafentrine (Q27236166)

Pumafentrine (English)

13 October 2016

chemical formula

C₂₉H₃₉N₃O₃

1 reference

Pumafentrine (English)

13 October 2016

canonical SMILES

CCOC1=C(C=C2C(=C1)C3CN(CCC3N=C2C4=CC=C(C=C4)C(=O)N(C(C)C)C(C)C)C)OC

1 reference

Pumafentrine (English)

13 October 2016

isomeric SMILES

CCOC1=C(C=C2C(=C1)[C@H]3CN(CC[C@H]3N=C2C4=CC=C(C=C4)C(=O)N(C(C)C)C(C)C)C)OC

1 reference

Pumafentrine (English)

InChI=1S/C29H39N3O3/c1-8-35-27-15-22-23(16-26(27)34-7)28(30-25-13-14-31(6)17-24(22)25)20-9-11-21(12-10-20)29(33)32(18(2)3)19(4)5/h9-12,15-16,18-19,24-25H,8,13-14,17H2,1-7H3/t24-,25-/m1/s1

13 October 2016

Identifiers

InChI

1 reference

Pumafentrine (English)

13 October 2016

1 reference

Global Substance Registration System

Pumafentrine (English)

13 October 2016

1 reference

UNII

063D2YI19E

pumafentrine (English)

13 October 2016

1 reference

pumafentrine (English)

13 October 2016

2 references

Pumafentrine (English)

13 October 2016

1 reference

PUMAFENTRINE (English)

13 October 2016

2 references

inferred from InChIKey

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

1 reference

2 references

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

063D2YI19E

pumafentrine (English)

13 October 2016