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

Details

Stereochemistry RACEMIC
Molecular Formula C13H18O4
Molecular Weight 238.2796
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-(3,4-DIHYDROXYPHENYL)-2,2-DIMETHYL-4-PENTENE-1,3-DIOL

SMILES

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

InChI

InChIKey=UVPAQWUWBVMAPV-GQCTYLIASA-N
InChI=1S/C13H18O4/c1-13(2,8-14)12(17)6-4-9-3-5-10(15)11(16)7-9/h3-7,12,14-17H,8H2,1-2H3/b6-4+

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
5-(3,4-DIHYDROXYPHENYL)-2,2-DIMETHYL-4-PENTENE-1,3-DIOL
Systematic Name English
1,2-BENZENEDIOL, 4-(3,5-DIHYDROXY-4,4-DIMETHYL-1-PENTENYL)-
Systematic Name English
1,2-BENZENEDIOL, 4-(3,5-DIHYDROXY-4,4-DIMETHYL-1-PENTEN-1-YL)-
Systematic Name English
(E)-4-(3,5-DIHYDROXY-4,4-DIMETHYLPENT-1-EN-1-YL)BENZENE-1,2-DIOL
Systematic Name English
STIRIPENTOL METABOLITE VI
Common Name English
CTK0D7292
Code English
ACMC-20M9S7
Code English
Code System Code Type Description
EPA CompTox
DTXSID30762306
Created by admin on Sat Dec 16 11:01:13 GMT 2023 , Edited by admin on Sat Dec 16 11:01:13 GMT 2023
PRIMARY
PUBCHEM
71334150
Created by admin on Sat Dec 16 11:01:13 GMT 2023 , Edited by admin on Sat Dec 16 11:01:13 GMT 2023
PRIMARY
FDA UNII
Y9XZM69ZDG
Created by admin on Sat Dec 16 11:01:13 GMT 2023 , Edited by admin on Sat Dec 16 11:01:13 GMT 2023
PRIMARY
CAS
106174-93-0
Created by admin on Sat Dec 16 11:01:13 GMT 2023 , Edited by admin on Sat Dec 16 11:01:13 GMT 2023
PRIMARY
PARENT (METABOLITE INACTIVE)
Structure of STIRIPENTOL
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966