befloxatone (Q4880243)

BEFLOXATONE (English)

3 October 2016

chemical formula

C₁₅H₁₈F₃NO₅

1 reference

BEFLOXATONE (English)

3 October 2016

canonical SMILES

COCC1CN(C(=O)O1)C2=CC=C(C=C2)OCCC(C(F)(F)F)O

1 reference

BEFLOXATONE (English)

3 October 2016

isomeric SMILES

COC[C@H]1CN(C(=O)O1)C2=CC=C(C=C2)OCC[C@H](C(F)(F)F)O

1 reference

BEFLOXATONE (English)

physically interacts with

3 October 2016

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

6637

InChI=1S/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m1/s1

17 August 2016

Commons category

Befloxatone

0 references

Identifiers

InChI

1 reference

BEFLOXATONE (English)

3 October 2016

1 reference

Global Substance Registration System

BEFLOXATONE (English)

3 October 2016

2 references

UNII

4H75PAD8M3

BEFLOXATONE (English)

3 October 2016

https://commonchemistry.cas.org/detail?cas_rn=134564-82-2

9 April 2021

1 reference

Befloxatone (English)

3 October 2016

2 references

BEFLOXATONE (English)

3 October 2016

ChEBI ID

229910

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m1/s1

1 reference

BEFLOXATONE (English)

3 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

DTXCID7081291

0 references

Guide to Pharmacology Ligand ID

6637

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

6637

Global Substance Registration System

befloxatone (English)

3 October 2016

2 references

UNII

4H75PAD8M3

BEFLOXATONE (English)

3 October 2016