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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O4
Molecular Weight 238.2796
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-5-HYDROXY-3-PENTANONE

SMILES

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

InChI

InChIKey=JJMIDXCHAJNVNC-UHFFFAOYSA-N
InChI=1S/C13H18O4/c1-13(2,8-14)12(17)6-4-9-3-5-10(15)11(16)7-9/h3,5,7,14-16H,4,6,8H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1-(3.4-DIHYDROXYPHENYL)-4,4-DIMETHYL-5-HYDROXY-3-PENTANONE
Common Name English
3-PENTANONE, 5-(3,4-DIHYDROXYPHENYL)-1-HYDROXY-2,2-DIMETHYL-
Systematic Name English
STIRIPENTOL METABOLITE XII
Common Name English
5-(3,4-DIHYDROXYPHENYL)-1-HYDROXY-2,2-DIMETHYLPENTAN-3-ONE
Systematic Name English
3-PENTANONE, 1-(3,4-DIHYDROXYPHENYL)-4-(HYDROXYMETHYL)-4-METHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
91936842
Created by admin on Sat Dec 16 11:01:14 GMT 2023 , Edited by admin on Sat Dec 16 11:01:14 GMT 2023
PRIMARY
FDA UNII
9UTM3JRO2L
Created by admin on Sat Dec 16 11:01:14 GMT 2023 , Edited by admin on Sat Dec 16 11:01:14 GMT 2023
PRIMARY
CAS
106174-98-5
Created by admin on Sat Dec 16 11:01:14 GMT 2023 , Edited by admin on Sat Dec 16 11:01:14 GMT 2023
PRIMARY
PARENT (METABOLITE INACTIVE)
Structure of STIRIPENTOL
NIH
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