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CHEBI:139344 - (S,S)-paclobutrazol

ChEBI IDCHEBI:139344
ChEBI Name(S,S)-paclobutrazol
Stars
ASCII Name(S,S)-paclobutrazol
DefinitionA 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol in which both stereocentres have S 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+/m0/s1
InChIKeyRMOGWMIKYWRTKW-UONOGXRCSA-N
ChEBI Ontology
Outgoing Relation(s)
(S,S)-paclobutrazol (CHEBI:139344) is a 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol (CHEBI:139343)
(S,S)-paclobutrazol (CHEBI:139344) is enantiomer of (R,R)-paclobutrazol (CHEBI:139345)
Incoming Relation(s)
paclobutrazol (CHEBI:73162) has part (S,S)-paclobutrazol (CHEBI:139344)
(R,R)-paclobutrazol (CHEBI:139345) is enantiomer of (S,S)-paclobutrazol (CHEBI:139344)
IUPAC Name 
(2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol
Synonyms  Source
Caswell No. 628CChEBI
(2S,3S)-paclobutrazolChEBI
Registry NumbersSources
Reaxys:5041783Reaxys
Citations