Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

FVX : Summary

Code

FVX

One-letter code

X

Molecule name

Fluvoxamine

Synonyms

2-[({(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine

Systematic names

ProgramVersionName
ACDLabs 12.01 2-[({(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine
OpenEye OEToolkits 1.7.6 2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine

Formula

C15 H21 F3 N2 O2

Formal charge

0

Molecular weight

318.335 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 FC(F)(F)c1ccc(\C(=N\OCCN)CCCCOC)cc1
SMILES CACTVS 3.370 COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F
SMILES OpenEye OEToolkits 1.7.6 COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F
Canonical SMILES CACTVS 3.370 COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F
Canonical SMILES OpenEye OEToolkits 1.7.6 COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F

IUPAC InChI

InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+

IUPAC InChI key

CJOFXWAVKWHTFT-XSFVSMFZSA-N
FVX

wwPDB Information

Atom count

43 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-04-23

Last modified at

2012-08-17

Status

Released

Obsoleted

Not Assigned