CHEBI:139344 - (S,S)-paclobutrazol

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ChEBI Name (S,S)-paclobutrazol
ChEBI ID CHEBI:139344
ChEBI ASCII Name (S,S)-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 S configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H20ClN3O
Net Charge 0
Average Mass 293.792
Monoisotopic Mass 293.129
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+/m0/s1
InChIKey RMOGWMIKYWRTKW-UONOGXRCSA-N
SMILES C([C@@H]([C@H](C(C)(C)C)O)N1N=CN=C1)C2=CC=C(C=C2)Cl
ChEBI Ontology
Outgoing (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 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 Sources
(2S,3S)-paclobutrazol ChEBI
Caswell No. 628C ChEBI
Registry Number Type Source
5041783 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
25820472 PubMed citation Europe PMC
Last Modified
21 December 2017