CHEBI:139345 - (R,R)-paclobutrazol

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ChEBI Name (R,R)-paclobutrazol ChEBI ID CHEBI:139345 ChEBI ASCII Name (R,R)-paclobutrazol Definition A 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol in which both stereocentres have R configuration. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C15H20ClN3O Net Charge 0 Average Mass 293.792 Monoisotopic Mass 293.12949 InChI InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3/t13-,14+/m1/s1 InChIKey RMOGWMIKYWRTKW-KGLIPLIRSA-N SMILES C([C@H]([C@@H](C(C)(C)C)O)N1N=CN=C1)C2=CC=C(C=C2)Cl ChEBI Ontology Outgoing (R,R)-paclobutrazol (CHEBI:139345) is a 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol (CHEBI:139343) (R,R)-paclobutrazol (CHEBI:139345) is enantiomer of (S,S)-paclobutrazol (CHEBI:139344) Incoming paclobutrazol (CHEBI:73162) has part (R,R)-paclobutrazol (CHEBI:139345) (S,S)-paclobutrazol (CHEBI:139344) is enantiomer of (R,R)-paclobutrazol (CHEBI:139345) IUPAC Name (2R,3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol Registry Number Type Source 6846840 Reaxys Registry Number Reaxys Citation Type Source 25820472 PubMed citation Europe PMC Last Modified 21 December 2017