Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

OX9

Summary
Name:~{N}-[3-chloranyl-4-(4-chloranylphenoxy)phenyl]-3,5-bis(iodanyl)-2-oxidanyl-benzamide
Synonyms:rafoxanide
Formula:C19 H11 Cl2 I2 N O3
Formal charge:0
Formula weight:626.01 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[3-chloranyl-4-(4-chloranylphenoxy)phenyl]-3,5-bis(iodanyl)-2-oxidanyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H11Cl2I2NO3/c20-10-1-4-13(5-2-10)27-17-6-3-12(9-15(17)21)24-19(26)14-7-11(22)8-16(23)18(14)25/h1-9,25H,(H,24,26)
InChIKeyInChI1.06NEMNPWINWMHUMR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1c(I)cc(I)cc1C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2
SMILESCACTVS3.385Oc1c(I)cc(I)cc1C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1Oc2ccc(cc2Cl)NC(=O)c3cc(cc(c3O)I)I)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1Oc2ccc(cc2Cl)NC(=O)c3cc(cc(c3O)I)I)Cl

223166

PDB entries from 2024-07-31

PDB statisticsPDBj update infoContact PDBjnumon