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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O3
Molecular Weight 222.2802
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3.4-DIHYDROXYPHENYL)-4,4-DIMETHYL-3-PENTANONE

SMILES

CC(C)(C)C(=O)CCC1=CC(O)=C(O)C=C1

InChI

InChIKey=DTBRTJQBEZDPGW-UHFFFAOYSA-N
InChI=1S/C13H18O3/c1-13(2,3)12(16)7-5-9-4-6-10(14)11(15)8-9/h4,6,8,14-15H,5,7H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1-(3.4-DIHYDROXYPHENYL)-4,4-DIMETHYL-3-PENTANONE
Common Name English
1-(3,4-DIHYDROXYPHENYL)-4,4-DIMETHYLPENTAN-3-ONE
Systematic Name English
STIRIPENTOL METABOLITE IX
Common Name English
3-PENTANONE, 1-(3,4-DIHYDROXYPHENYL)-4,4-DIMETHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
C542BXP4J7
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
106174-95-2
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
156596429
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
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