U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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, (2R,3R)-

SMILES

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

InChI

InChIKey=RMOGWMIKYWRTKW-KGLIPLIRSA-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+/m1/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 18:03:44 GMT 2025
Edited
by admin
on Wed Apr 02 18:03:44 GMT 2025
Record UNII
P6YK8U3ETP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Paclobutrazol, (2R,3R)-
Common Name English
2R,3R-Paclobutrazol
Preferred Name English
1H-1,2,4-Triazole-1-ethanol, ?-[(4-chlorophenyl)methyl]-?-(1,1-dimethylethyl)-, [R-(R*,R*)]-
Systematic Name English
(?R,?R)-?-[(4-Chlorophenyl)methyl]-?-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
Systematic Name English
1H-1,2,4-Triazole-1-ethanol, ?-[(4-chlorophenyl)methyl]-?-(1,1-dimethylethyl)-, (?R,?R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
158076
Created by admin on Wed Apr 02 18:03:44 GMT 2025 , Edited by admin on Wed Apr 02 18:03:44 GMT 2025
PRIMARY
CAS
82336-55-8
Created by admin on Wed Apr 02 18:03:44 GMT 2025 , Edited by admin on Wed Apr 02 18:03:44 GMT 2025
PRIMARY
FDA UNII
P6YK8U3ETP
Created by admin on Wed Apr 02 18:03:44 GMT 2025 , Edited by admin on Wed Apr 02 18:03:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID30231704
Created by admin on Wed Apr 02 18:03:44 GMT 2025 , Edited by admin on Wed Apr 02 18:03:44 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER