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CHEBI:77057 - (S)-closantel

ChEBI IDCHEBI:77057
ChEBI Name(S)-closantel
Stars
ASCII Name(S)-closantel
DefinitionAn N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide that has S configuration.
Last Modified21 January 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H14Cl2I2N2O2
Net Charge0
Average Mass663.080
Monoisotopic Mass661.85218
SMILES[H][C@](C#N)(c1ccc(Cl)cc1)c1cc(C)c(NC(=O)c2cc(I)cc(I)c2O)cc1Cl
InChIInChI=1S/C22H14Cl2I2N2O2/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29/h2-9,17,29H,1H3,(H,28,30)/t17-/m0/s1
InChIKeyJMPFSEBWVLAJKM-KRWDZBQOSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-closantel (CHEBI:77057) is a N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide (CHEBI:77054)
Incoming Relation(s)
closantel (CHEBI:77053) has part (S)-closantel (CHEBI:77057)
IUPAC Name 
N-{5-chloro-4-[(S)-(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide