UCSF

ZINC08766760

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 18 No

CAS Number: 115-38-8

Other Names:

barb-

1-Methyl-5-ethyl-5-phenylbarbituric acid

1-Methyl-5-phenyl-5-ethylbarbituric acid

1-Methylphenobarbital

115-38-8

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

AC-16075

AC1L1QMW

AKOS002254670

ALARQZQTBTVLJV-UHFFFAOYSA-

Barbituric acid, 5-ethyl-1-methyl-5-phenyl-

Bio-0356

BRN 0256144

C07829

CHEBI:6758

CHEMBL45029

CID8271

D00700

D008618

DAP000680

DB00849

DCF

DEA No. 2250

EINECS 204-085-7

Enfenemal

Enphenemal

Enphenemalum

HSDB 3579

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)

INN)

Isonal (roussel)

LS-24423

Mebaral

Mebaral (TN)

Meberal

Mebroin

Mefobarbital

Menta-Bal

Mentabal

Mephobarbital

Mephobarbital (JAN

Mephobarbital (JAN/USP)

Mephobarbital [JAN]

Mephobarbital

Mephobarbitone

Mephytal

Methyl phenobarbitone

Methyl-calminal

Methylphenobarbital (INN)

Methylphenobarbitalum

Methylphenobarbitalum [INN-Latin]

Methylphenobarbitone

Methylphenobarbitonum

Methylphenolbarbital

Methylphenylbarbituric acid

Metilfenobarbital

Metilfenobarbital [INN-Spanish]

Metilfenobarbitale

Metilfenobarbitale [DCIT]

Metylfenemal

Metyna

MolPort-000-839-979

MolPort-002-537-654

Morbusan

N-Ethylmethylphenylbarbituric acid

N-Methyl-5-phenyl-5-ethylbarbital

N-Methylethylphenylbarbituric acid

N-Methylphenobarbital

N-Methylphenolbarbitol

NCGC00159357-02

NCGC00159357-03

Oprea1_133475

Phemetone

Phemiton

Phemitone

Phenmiton

Prominal

Prominaletten

Prominalum

Sanofi Brand of Mephobarbital

Sanofi Synthelabo Brand of Mephobarbital

STK732046

UNII-5NC67NU76B

USP); Methylphenobarbital (BAN

Download: MOL2 SDF SMILES 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) 1.23 1.09 -41.73 0 5 -1 73 245.258 2
Mid Mid (pH 6-8) 1.59 3.67 -6.92 1 5 0 66 246.266 2
Mid Mid (pH 6-8) 0.67 1.2 -41.51 0 5 -1 73 245.258 2

Vendor Notes

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
mechanism Produces all levels of CNS mood alteration IBScreen Bioactives
biological_use Sedative IBScreen Bioactives

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )