| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2006 | 16 | No |
Popular Name: Amobarbital Amobarbital
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-methylbutyl)-
5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
5-Ethyl-5-(3-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
5-Ethyl-5-(3-methylbutyl)barbituric acid
5-ethyl-5-(3-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione
5-Ethyl-5-isoamylbarbituric acid
5-Ethyl-5-isopentylbarbituric acid
5-Ethyl-5-isopentylbarbitursaeure
5-Isoamyl-5-ethylbarbituric acid
64-43-7; Amobarbital sodium (JAN/USP); Amytal sodium (TN); D02252
Amobarbital suppository dosage form
Barbituric acid, 5-ethyl-5-isopentyl-
InChI=1/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
INN); Amobarbital Sodium (USP); Amobarbital Sodium For Injection (JAN)
sodium 5-ethyl-5-(3-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate
USP); Amobarbital Sodium (USP); Amobarbital Sodium For Injection (JAN)
| 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) | 1.78 | 1.39 | -5.25 | 2 | 5 | 0 | 75 | 226.276 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.64 | -1.17 | -36.38 | 1 | 5 | -1 | 82 | 225.268 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | -1.12 | -36.62 | 1 | 5 | -1 | 82 | 225.268 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 2.402 | Bitter DB |
| Molecular_Solubility | 2.441 | Bitter DB |
| ALOGPS_SOLUBILITY | 8.97e-01 g/l | DrugBank-approved |
| Patent Database Links | EP1990639; US2007184076; US2007185018; US2007258894 | ChEBI |
