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Details

Stereochemistry ACHIRAL
Molecular Formula C14H20O3
Molecular Weight 236.3068
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3-METHOXY-4-HYDROXYPHENYL)-4,4-DIMETHYL-3-PENTANONE

SMILES

COC1=C(O)C=CC(CCC(=O)C(C)(C)C)=C1

InChI

InChIKey=UQICWCMGJKDDEK-UHFFFAOYSA-N
InChI=1S/C14H20O3/c1-14(2,3)13(16)8-6-10-5-7-11(15)12(9-10)17-4/h5,7,9,15H,6,8H2,1-4H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1-(3-METHOXY-4-HYDROXYPHENYL)-4,4-DIMETHYL-3-PENTANONE
Systematic Name English
ACMC-20M9S8
Code English
3-PENTANONE, 1-(4-HYDROXY-3-METHOXYPHENYL)-4,4-DIMETHYL-
Systematic Name English
STIRIPENTOL METABOLITE XI
Common Name English
CTK0G3710
Code English
1-(4-HYDROXY-3-METHOXYPHENYL)-4,4-DIMETHYLPENTAN-3-ONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90762307
Created by admin on Sat Dec 16 10:48:40 GMT 2023 , Edited by admin on Sat Dec 16 10:48:40 GMT 2023
PRIMARY
FDA UNII
CO42C6LWRW
Created by admin on Sat Dec 16 10:48:40 GMT 2023 , Edited by admin on Sat Dec 16 10:48:40 GMT 2023
PRIMARY
CAS
106174-97-4
Created by admin on Sat Dec 16 10:48:40 GMT 2023 , Edited by admin on Sat Dec 16 10:48:40 GMT 2023
PRIMARY
PUBCHEM
71334151
Created by admin on Sat Dec 16 10:48:40 GMT 2023 , Edited by admin on Sat Dec 16 10:48:40 GMT 2023
PRIMARY
PARENT (METABOLITE INACTIVE)
Structure of STIRIPENTOL
NIH
NCATS
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