CHEBI:84006 - (R)-triticonazole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (R)-triticonazole
ChEBI ID CHEBI:84006
ChEBI ASCII Name (R)-triticonazole
Definition A (5E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol that is the (R)-enantiomer of triticonazole.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H20ClN3O
Net Charge 0
Average Mass 317.81300
Monoisotopic Mass 317.12949
InChI InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+/t17-/m0/s1
InChIKey PPDBOQMNKNNODG-ZGUWOUCSSA-N
SMILES CC1(C)CC\C(=C/c2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1
ChEBI Ontology
Outgoing (R)-triticonazole (CHEBI:84006) is a (5E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol (CHEBI:84005)
(R)-triticonazole (CHEBI:84006) is enantiomer of (S)-triticonazole (CHEBI:84007)
Incoming triticonazole (CHEBI:81980) has part (R)-triticonazole (CHEBI:84006)
(S)-triticonazole (CHEBI:84007) is enantiomer of (R)-triticonazole (CHEBI:84006)
IUPAC Name
(1R,5E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol
Registry Number Type Source
19042793 Reaxys Registry Number Reaxys
Last Modified
05 December 2014