Chem
J-GLOBAL ID：200907002437392520   Nikkaji number：J646.519F

(2S,3S)-Paclobutrazol

(2S,3S)-パクロブトラゾール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C15H20ClN3O
Molecular formula furigana： C15-H20-CL-N3-O
Molecular weight： 293.800
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
InChI key： RMOGWMIKYWRTKW-UONOGXRCSA-N
SMILES： CC(C)(C)[C@H](O)[C@H](Cc1ccc(Cl)cc1)n1cncn1
Systematic name  (2)：
  • (2S,3S)-1-(4-クロロフェニル)-4,4-ジメチル-2-(1H-1,2,4-トリアゾール-1-イル)ペンタン-3-オール
  • (2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol
Other name (2)：
  • (2S,3S)-パクロブトラゾール
  • (2S,3S)-Paclobutrazol
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