| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2007 | 18 | No |
Popular Name: Methylphenobarbital Methylphenobarbital
Find On: PubMed — Wikipedia — Google
CAS Number: 115-38-8
1-Methyl-5-ethyl-5-phenylbarbituric acid
1-Methyl-5-phenyl-5-ethylbarbituric acid
115-38-8; C07829; Mephobarbital
115-38-8; D00700; Mebaral (TN); Mephobarbital (JAN/USP); Methylphenobarbital (INN)
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-methyl-5-phenyl-
5-24-09-00294 (Beilstein Handbook Reference)
5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
5-Ethyl-1-methyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
5-Ethyl-1-methyl-5-phenyl-pyrimidine-2,4,6-trione
5-Ethyl-1-methyl-5-phenylbarbituric acid
5-ethyl-1-methyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
5-Ethyl-5-phenyl-N-methyl-bartituric acid
5-Ethyl-N-methyl-5-phenylbarbituric acid
5-Phenyl-5-ethyl-3-methylbarbituric acid
Barbituric acid, 5-ethyl-1-methyl-5-phenyl-
InChI=1/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)
Methylphenobarbitalum [INN-Latin]
Metilfenobarbital [INN-Spanish]
N-Ethylmethylphenylbarbituric acid
N-Methyl-5-phenyl-5-ethylbarbital
N-Methylethylphenylbarbituric acid
| 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) | 1.23 | 1.93 | -40.49 | 0 | 5 | -1 | 73 | 245.258 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.59 | 3.68 | -7.75 | 1 | 5 | 0 | 66 | 246.266 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.67 | 1.2 | -41.53 | 0 | 5 | -1 | 73 | 245.258 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | . | ZereneX Building Blocks |
| biological_use | Analgesic | IBScreen Bioactives |
| biological_use | Anticonvulsant | IBScreen Bioactives |
| biological_use | Antispasmodic | IBScreen Bioactives IBScreen Bioactives |
| mechanism | Binds brain tissue protein | IBScreen Bioactives |
| mechanism | Binds plasma-protein | IBScreen Bioactives |
| mechanism | Dose-dependent respiratory depressant | IBScreen Bioactives IBScreen Bioactives |
| PUBCHEM_PATENT_ID | EP0085340A1; EP0227836A1; EP0227836B1; EP0253901A1; EP0253901B1; EP0282192A1; EP0475160B1; EP0951310A1; EP0977031A1; EP0991940A1; US3966556; US3966744; US3966764; US3975237; US4005035; US4067774; US4172451; US4190496; US4203802; US4267075; US4282325; US43 | IBM Patent Data |
| mechanism | Produces all levels of CNS mood alteration | IBScreen Bioactives |
| biological_use | Sedative | IBScreen Bioactives |
