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Details

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

SHOW SMILES / InChI
Structure of 1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol, (2S,3R)-

SMILES

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

InChI

InChIKey=RMOGWMIKYWRTKW-KBPBESRZSA-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

Approval Year

Name Type Language
(2S,3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
Preferred Name English
1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol, (2S,3R)-
Systematic Name English
Paclobutrazol Impurity 2
Systematic Name English
1H-1,2,4-Triazole-1-ethanol, ?-[(4-chlorophenyl)methyl]-?-(1,1-dimethylethyl)-, [R-(R*,S*)]-
Systematic Name English
Code System Code Type Description
FDA UNII
H5M338M9S9
Created by admin on Wed Apr 02 17:51:09 GMT 2025 , Edited by admin on Wed Apr 02 17:51:09 GMT 2025
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CAS
66345-53-7
Created by admin on Wed Apr 02 17:51:09 GMT 2025 , Edited by admin on Wed Apr 02 17:51:09 GMT 2025
PRIMARY
PUBCHEM
6455310
Created by admin on Wed Apr 02 17:51:09 GMT 2025 , Edited by admin on Wed Apr 02 17:51:09 GMT 2025
PRIMARY
EPA CompTox
DTXSID70216555
Created by admin on Wed Apr 02 17:51:09 GMT 2025 , Edited by admin on Wed Apr 02 17:51:09 GMT 2025
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