Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| February 8th, 2006 |
14 |
No
|
Other Names:
barb-
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylethyl)-, calcium salt (2:1); 5-Ethyl-5-isopropylbarbituric acid calcium salt; Barbituric acid, 5-ethyl-5-isopropyl-, calcium salt; Calcium ethylisopropylbarbiturate; Calcium probarbital; Ipral calcium
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylethyl)-, monosodium salt; 5-Ethyl-5-isopropylbarbituric acid sodium; Barbituric acid, 5-ethyl-5-isopropyl-, sodium deriv; Barbituric acid, 5-ethyl-5-isopropyl-, sodium salt; Ethypropymalum (acid); Ipral
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylethyl)-; 5-Ethyl-5-(1-methylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-Ethyl-5-isopropylbarbituric acid; BRN 0167241; Barbituric acid, 5-ethyl-5-isopropyl-; Ethylisopropylbarbituric acid; Ipral; Irenal
NF)
Probarbital Sodium (INN
Download:
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Flexibase
Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
0.98 |
-0.2 |
-6.36 |
2 |
5 |
0 |
75 |
198.222 |
2 |
↓
|
|
Mid
Mid (pH 6-8)
|
0.84 |
-1.97 |
-34.95 |
1 |
5 |
-1 |
82 |
197.214 |
2 |
↓
|
|
Mid
Mid (pH 6-8)
|
0.28 |
-1.96 |
-35.73 |
1 |
5 |
-1 |
82 |
197.214 |
2 |
↓
|
No pre-computed analogs available. Try a structural similarity search.
