carboxyfentanyl (Q27130744)

CARBOXYFENTANYL (English)

7 October 2016

chemical formula

C₂₃H₂₈N₂O₃

1 reference

CARBOXYFENTANYL (English)

7 October 2016

canonical SMILES

C1CN(CCC1N(C2=CC=CC=C2)C(=O)CCC(=O)O)CCC3=CC=CC=C3

1 reference

CARBOXYFENTANYL (English)

InChI=1S/C23H28N2O3/c26-22(11-12-23(27)28)25(20-9-5-2-6-10-20)21-14-17-24(18-15-21)16-13-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,27,28)

7 October 2016

Identifiers

InChI

1 reference

CARBOXYFENTANYL (English)

7 October 2016

2 references

CARBOXYFENTANYL (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-oxo-4-((1-phenethylpiperidin-4-yl)(phenyl)amino)butanoic acid (English)

7 October 2016

2 references

CARBOXYFENTANYL (English)

7 October 2016

Reaxys registry number

11245147

1 reference

carboxyfentanyl (English)

7 October 2016

ChEBI ID

61106

mapping relation type

2 references

carboxyfentanyl (English)

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C23H28N2O3/c26-22(11-12-23(27)28)25(20-9-5-2-6-10-20)21-14-17-24(18-15-21)16-13-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,27,28)

1 reference

Human Metabolome Database ID

CARBOXYFENTANYL (English)

7 October 2016

1 reference

HMDB0249661

2 references

based on heuristic

inferred from InChIKey

UNII

9B5MX9FN8R

1 reference

Immune Epitope Database and Analysis Resource

0 references

1 reference

IEDB Epitope ID

153518