EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:139345 - (R,R)-paclobutrazol

ChEBI IDCHEBI:139345
ChEBI Name(R,R)-paclobutrazol
Stars
ASCII Name(R,R)-paclobutrazol
DefinitionA 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol in which both stereocentres have R configuration.
Last Modified21 December 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H20ClN3O
Net Charge0
Average Mass293.798
Monoisotopic Mass293.12949
SMILESCC(C)(C)[C@@H](O)[C@@H](Cc1ccc(Cl)cc1)n1cncn1
InChIInChI=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
InChIKeyRMOGWMIKYWRTKW-KGLIPLIRSA-N
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
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 NumbersSources
Reaxys:6846840Reaxys
Citations