N-desethyl sunitinib (Q27258553)

N-Desethyl Sunitinib (English)

14 October 2016

chemical formula

C₂₀H₂₃FN₄O₂

1 reference

N-Desethyl Sunitinib (English)

14 October 2016

canonical SMILES

CCNCCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C

1 reference

N-Desethyl Sunitinib (English)

14 October 2016

isomeric SMILES

CCNCCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C

1 reference

N-Desethyl Sunitinib (English)

InChI=1S/C20H23FN4O2/c1-4-22-7-8-23-20(27)18-11(2)17(24-12(18)3)10-15-14-9-13(21)5-6-16(14)25-19(15)26/h5-6,9-10,22,24H,4,7-8H2,1-3H3,(H,23,27)(H,25,26)/b15-10-

14 October 2016

Identifiers

InChI

1 reference

N-Desethyl Sunitinib (English)

LIZNIAKSBJKPQC-GDNBJRDFSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

N-Desethyl Sunitinib (English)

14 October 2016

1 reference

UNII

42LJ35612R

N-desethyl sunitinib (English)

14 October 2016

1 reference

N-[2-(Ethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (English)

14 October 2016

2 references

N-Desethyl Sunitinib (English)

matched by identifier from

14 October 2016

InChIKey

LIZNIAKSBJKPQC-GDNBJRDFSA-N

1 reference

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

CHEMBL3542344 (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

42LJ35612R

N-desethyl sunitinib (English)