Cas no 115-38-8 (methylphenobarbital)

methylphenobarbital structure
methylphenobarbital structure
Product Name:methylphenobarbital
CAS No:115-38-8
MF:C13H14N2O3
MW:246.261863231659
CID:81937
PubChem ID:329817924
Update Time:2025-04-18

methylphenobarbital Chemical and Physical Properties

Names and Identifiers

    • methylphenobarbital
    • 5-ethyl-1-methyl-5-phenylbarbituric acid
    • methylphenobarbitone
    • Mephobarbital
    • Methylphenobabital
    • 5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
    • Metyna
    • Mebaral
    • Meberal
    • Mephytal
    • Morbusan
    • Phemiton
    • Prominal
    • Enfenemal
    • Menta-bal
    • Phemetone
    • 5-Phenyl-5-ethyl-3-methylbarbituric acid
    • MEPHOBARBITAL [MI]
    • 5-24-09-00294 (Beilstein Handbook Reference)
    • Mephobarbital [USP:JAN]
    • DTXCID403258
    • METHYLPHENOBARBITAL [EP MONOGRAPH]
    • Phemitone
    • Metylfenemal
    • 5-Ethyl-N-methyl-5-phenylbarbituric acid
    • Cambridge id 5240602
    • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-methyl-5-phenyl-
    • DEA No. 2250
    • Isonal (roussel)
    • Metilfenobarbital
    • HSDB 3579
    • BRN 0256144
    • C07829
    • Mephobarbital [JAN]
    • Mephobarbital (JAN/USP)
    • ALARQZQTBTVLJV-UHFFFAOYSA-
    • Metilfenobarbitale
    • 1-Methyl-5-phenyl-5-ethylbarbituric acid
    • Q411697
    • EINECS 204-085-7
    • N-Ethylmethylphenylbarbituric acid
    • Mephobarbitone
    • Oprea1_133475
    • Hexahydropyrimidine-2,4,6-trione,1-methyl-5-ethyl-5-phenyl-
    • SCHEMBL35624
    • Isonal
    • MEPHOBARBITAL CIV [USP-RS]
    • UNII-5NC67NU76B
    • DB00849
    • Mephobarbital civ
    • Methylphenobarbital [INN]
    • NCGC00159357-02
    • Methylphenobarbitonum
    • MEPHOBARBITAL [VANDF]
    • Methylphenobarbital 0.1 mg/ml in Methanol
    • Tox21_111600
    • Methylphenobarbitalum
    • Barbituric acid, 5-ethyl-1-methyl-5-phenyl-
    • Methylphenylbarbituric acid
    • 5-Ethyl-1-methyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
    • 5-Ethyl-5-phenyl-N-methyl-bartituric acid
    • 1-Methyl-5-ethyl-5-phenyl-pyrimidine-2,4,6-trione
    • Mebaral (TN)
    • METHYLPHENOBARBITAL [WHO-DD]
    • Methylphenobarbital 1.0 mg/ml in Methanol
    • AKOS002254670
    • N-Methylphenobarbital
    • Metilfenobarbital [INN-Spanish]
    • 1-Methylphenobarbital
    • NCGC00159357-03
    • Methylphenobarbitalum [INN-Latin]
    • Enphenemal
    • CHEBI:6758
    • (.+/-.)-Mephobarbital
    • 5-Ethyl-1-methyl-5-phenyl-pyrimidine-2,4,6-trione
    • METHYLPHENOBARBITAL [MART.]
    • Mephobarbital, United States Pharmacopeia (USP) Reference Standard
    • NS00008035
    • N-Methylethylphenylbarbituric acid
    • A803425
    • Prominalum
    • Methylphenobarbital, 1.0 mg/mL in methanol, certified reference material
    • DTXSID4023258
    • Methylphenobarbital, European Pharmacopoeia (EP) Reference Standard
    • Methylphenobarbital (INN)
    • Enphenemalum
    • Phenobarbital, mono-methyl
    • D00700
    • ALARQZQTBTVLJV-UHFFFAOYSA-N
    • Methyl phenobarbitone
    • 1-Methyl-5-ethyl-5-phenylbarbituric acid
    • 5NC67NU76B
    • Methyl-calminal
    • N-Methylphenolbarbitol
    • 115-38-8
    • MEPHOBARBITAL [HSDB]
    • N-Methyl-5-phenyl-5-ethylbarbital
    • Methylphenolbarbital
    • N-Methyl-5-phenyl-5-ethylbarbituric acid
    • MEPHOBARBITAL [USP MONOGRAPH]
    • Methylphenobarbital (1.0mg/ml in Acetonitrile)
    • 5-ethyl-1-methyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
    • 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)
    • CAS-115-38-8
    • Metilfenobarbitale [DCIT]
    • Prominaletten
    • CHEMBL45029
    • MDL: MFCD00057563
    • Inchi: 1S/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)
    • InChI Key: ALARQZQTBTVLJV-UHFFFAOYSA-N
    • SMILES: O=C1C(C(NC(N1C)=O)=O)(C1C=CC=CC=1)CC

Computed Properties

  • Exact Mass: 246.10000
  • Monoisotopic Mass: 246.10044231g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 388
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: nothing
  • Topological Polar Surface Area: 66.5?2

Experimental Properties

  • Density: 1.1855 (rough estimate)
  • Melting Point: 1760C
  • Boiling Point: 389.26°C (rough estimate)
  • Flash Point: 11 °C
  • Refractive Index: 1.6450 (estimate)
  • PSA: 66.48000
  • LogP: 1.30930
  • Color/Form: 1.0?mg/mL in methanol

methylphenobarbital Security Information

  • Hazardous Material transportation number:UN 3249
  • Hazard Category Code: 22-39/23/24/25-23/24/25-11
  • Safety Instruction: 36/37/39-45-36/37-16-7
  • Hazardous Material Identification: Xn T F
  • Packing Group:III
  • Hazard Level:6.1(b)
  • Safety Term:6.1(b)
  • Packing Group:III
  • HazardClass:6.1(b)
  • PackingGroup:III
  • Storage Condition:2-8°C
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