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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H20ClN3O
Molecular Weight 293.792
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Paclobutrazol, (2S,3S)-

SMILES

CC(C)(C)[C@H](O)[C@H](CC1=CC=C(Cl)C=C1)N2C=NC=N2

InChI

InChIKey=RMOGWMIKYWRTKW-UONOGXRCSA-N
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

HIDE SMILES / InChI

Molecular Formula C15H20ClN3O
Molecular Weight 293.792
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:50:28 GMT 2025
Edited
by admin
on Wed Apr 02 18:50:28 GMT 2025
Record UNII
3EF5QC8G5W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Paclobutrazol, (2S,3S)-
Common Name English
2S,3S-Paclobutrazol
Preferred Name English
1H-1,2,4-Triazole-1-ethanol, ?-[(4-chlorophenyl)methyl]-?-(1,1-dimethylethyl)-, (?S,?S)-
Systematic Name English
(?S,?S)-?-[(4-Chlorophenyl)methyl]-?-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
Systematic Name English
(2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol
Systematic Name English
Code System Code Type Description
CAS
66346-05-2
Created by admin on Wed Apr 02 18:50:28 GMT 2025 , Edited by admin on Wed Apr 02 18:50:28 GMT 2025
PRIMARY
FDA UNII
3EF5QC8G5W
Created by admin on Wed Apr 02 18:50:28 GMT 2025 , Edited by admin on Wed Apr 02 18:50:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID30216556
Created by admin on Wed Apr 02 18:50:28 GMT 2025 , Edited by admin on Wed Apr 02 18:50:28 GMT 2025
PRIMARY
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