IUPAC name
(1E)-1-(2H-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol
SMILES
CC(C)(C)C(O)\C=C\C1=CC2=C(OCO2)C=C1
Compound class
Nervous System; Antiepileptics;
Therapeutic area
Common name
Stiripentol
IUPAC name
(1E)-1-(2H-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol
SMILES
CC(C)(C)C(O)\C=C\C1=CC2=C(OCO2)C=C1
INCHI
InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+
FORMULA
C14H18O3
Common name
Stiripentol
IUPAC name
(1E)-1-(2H-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol
Molecular weight
234.291
clogP
3.149
clogS
-2.477
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
38.69
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00616 | prop-2-en-1-ol |
|
C=CCO | 0.0072 |
| FDBF01679 | 1,3-benzodioxole |
|
O1c2ccccc2OC1 | 0.0014 |
| FDBF03865 | 2,2-dimethylpropan-1-ol |
|
C(C)(C)(C)CO | 0.0034 |
| FDBF03867 | (3R)-4,4-dimethylpent-1-en-3-ol |
|
C(C)(C)(C)C(O)C=C | 0.0017 |
| FDBF04199 | 5-vinyl-1,3-benzodioxole |
|
O1c2cc(ccc2OC1)C=C | 0.0003 |
| FDBF04200 | (E)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-ol |
|
O1c2cc(ccc2OC1)C=CCO | 0.0003 |
7 ,
1
