Barbituric Acid

Barbituric acid is the parent compound of barbiturate drugs; an organic acid based on a pyrimidine heterocyclic skeleton. The compound can be used in the Knoevenagel condensation reaction to synthesize a variety of central nervous system depressant drugs.

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Barbituric Acid, BAKER™, J.T. Baker™

Molecular Formula: C4H4N2O3 Molecular Weight (g/mol): 128.09 MDL Number: MFCD00006666 InChI Key: HNYOPLTXPVRDBG-UHFFFAOYSA-N Synonym: barbituric acid,malonylurea,2,4,6 1h,3h,5h-pyrimidinetrione,6-hydroxyuracil,pyrimidinetrione,2,4,6-trihydroxypyrimidine,2,4,6-pyrimidinetrione,pyrimidine-2,4,6 1h,3h,5h-trione,barbiturate,malonylharnstoff IUPAC Name: 1,3-diazinane-2,4,6-trione SMILES: O=C1CC(=O)NC(=O)N1

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Specifications

Molecular Weight (g/mol)	128.09
MDL Number	MFCD00006666
SMILES	O=C1CC(=O)NC(=O)N1
Synonym	barbituric acid,malonylurea,2,4,6 1h,3h,5h-pyrimidinetrione,6-hydroxyuracil,pyrimidinetrione,2,4,6-trihydroxypyrimidine,2,4,6-pyrimidinetrione,pyrimidine-2,4,6 1h,3h,5h-trione,barbiturate,malonylharnstoff
IUPAC Name	1,3-diazinane-2,4,6-trione
InChI Key	HNYOPLTXPVRDBG-UHFFFAOYSA-N
Molecular Formula	C4H4N2O3

Barbituric acid, EMSURE™, MilliporeSigma™

CAS: 67-52-7 Molecular Formula: C4H4N2O3 Molecular Weight (g/mol): 128.09 MDL Number: MFCD00006666 InChI Key: HNYOPLTXPVRDBG-UHFFFAOYSA-N Synonym: barbituric acid,malonylurea,2,4,6 1h,3h,5h-pyrimidinetrione,6-hydroxyuracil,pyrimidinetrione,2,4,6-trihydroxypyrimidine,2,4,6-pyrimidinetrione,pyrimidine-2,4,6 1h,3h,5h-trione,barbiturate,malonylharnstoff PubChem CID: 6211 ChEBI: CHEBI:16294 IUPAC Name: 1,3-diazinane-2,4,6-trione SMILES: O=C1CC(=O)NC(=O)N1

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PubChem CID	6211
CAS	67-52-7
Molecular Weight (g/mol)	128.09
ChEBI	CHEBI:16294
MDL Number	MFCD00006666
SMILES	O=C1CC(=O)NC(=O)N1
Synonym	barbituric acid,malonylurea,2,4,6 1h,3h,5h-pyrimidinetrione,6-hydroxyuracil,pyrimidinetrione,2,4,6-trihydroxypyrimidine,2,4,6-pyrimidinetrione,pyrimidine-2,4,6 1h,3h,5h-trione,barbiturate,malonylharnstoff
IUPAC Name	1,3-diazinane-2,4,6-trione
InChI Key	HNYOPLTXPVRDBG-UHFFFAOYSA-N
Molecular Formula	C4H4N2O3

Murexide, ACS Grade, LabChem™

CAS: 3051-09-0 Molecular Formula: C8H3N5O6-2 Molecular Weight (g/mol): 265.141 InChI Key: MUMMBXDKKJEASE-UHFFFAOYSA-L Synonym: murexide,ammonium purpurate acid,6-oxo-5-2,4,6-trioxo-1,3-diazinan-5-ylidene amino-1h-pyrimidine-2,4-diolate,5-hexahydro-2,4,6-trioxo-5-pyrimidinyl imino-2,4,6 1h,3h,5h-pyrimidinetrione ammonium salt,6-oxidanylidene-5-2,4,6-tris oxidanylidene-1,3-diazinan-5-ylidene amino-1h-pyrimidine-2,4-diolate PubChem CID: 51381221 IUPAC Name: 6-oxo-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]-1H-pyrimidine-2,4-diolate SMILES: C1(=C(N=C(NC1=O)[O-])[O-])N=C2C(=O)NC(=O)NC2=O

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Specifications

PubChem CID	51381221
CAS	3051-09-0
Molecular Weight (g/mol)	265.141
SMILES	C1(=C(N=C(NC1=O)[O-])[O-])N=C2C(=O)NC(=O)NC2=O
Synonym	murexide,ammonium purpurate acid,6-oxo-5-2,4,6-trioxo-1,3-diazinan-5-ylidene amino-1h-pyrimidine-2,4-diolate,5-hexahydro-2,4,6-trioxo-5-pyrimidinyl imino-2,4,6 1h,3h,5h-pyrimidinetrione ammonium salt,6-oxidanylidene-5-2,4,6-tris oxidanylidene-1,3-diazinan-5-ylidene amino-1h-pyrimidine-2,4-diolate
IUPAC Name	6-oxo-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]-1H-pyrimidine-2,4-diolate
InChI Key	MUMMBXDKKJEASE-UHFFFAOYSA-L
Molecular Formula	C8H3N5O6-2

Barbituric Acid, 99%, Spectrum™ Chemical

CAS: 67-52-7

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CAS	67-52-7

Murexide, Thermo Scientific Chemicals

CAS: 3051-09-0 Molecular Formula: C8H3N5O6-2 Molecular Weight (g/mol): 265.141 MDL Number: MFCD00012777 InChI Key: MUMMBXDKKJEASE-UHFFFAOYSA-L Synonym: murexide,ammonium purpurate acid,6-oxo-5-2,4,6-trioxo-1,3-diazinan-5-ylidene amino-1h-pyrimidine-2,4-diolate,5-hexahydro-2,4,6-trioxo-5-pyrimidinyl imino-2,4,6 1h,3h,5h-pyrimidinetrione ammonium salt,6-oxidanylidene-5-2,4,6-tris oxidanylidene-1,3-diazinan-5-ylidene amino-1h-pyrimidine-2,4-diolate PubChem CID: 51381221 IUPAC Name: 6-oxo-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]-1H-pyrimidine-2,4-diolate SMILES: C1(=C(N=C(NC1=O)[O-])[O-])N=C2C(=O)NC(=O)NC2=O

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Specifications

PubChem CID	51381221
CAS	3051-09-0
Molecular Weight (g/mol)	265.141
MDL Number	MFCD00012777
SMILES	C1(=C(N=C(NC1=O)[O-])[O-])N=C2C(=O)NC(=O)NC2=O
Synonym	murexide,ammonium purpurate acid,6-oxo-5-2,4,6-trioxo-1,3-diazinan-5-ylidene amino-1h-pyrimidine-2,4-diolate,5-hexahydro-2,4,6-trioxo-5-pyrimidinyl imino-2,4,6 1h,3h,5h-pyrimidinetrione ammonium salt,6-oxidanylidene-5-2,4,6-tris oxidanylidene-1,3-diazinan-5-ylidene amino-1h-pyrimidine-2,4-diolate
IUPAC Name	6-oxo-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]-1H-pyrimidine-2,4-diolate
InChI Key	MUMMBXDKKJEASE-UHFFFAOYSA-L
Molecular Formula	C8H3N5O6-2

(1R)-endo-(+)-Fenchyl alcohol, 96%, Thermo Scientific Chemicals

CAS: 2217-02-9 MDL Number: MFCD00003760

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Specifications

CAS	2217-02-9
MDL Number	MFCD00003760

Sigma Aldrich Fine Chemicals Biosciences Barbituric acid, 67-52-7, MFCD00006666, 100 g

Empirical Formula (Hill Notation): C4H4N2O3, Molecular Weight: 128.09, ReagentPlus, 99%, mp: 248-252 °C, Synonym: 2,4,6-Trihydroxypyrimidine, Malonylurea.

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PubChem CID	6211
CAS	67-52-7
Molecular Weight (g/mol)	128.09
ChEBI	CHEBI:16294
MDL Number	MFCD00006666
SMILES	O=C1CC(=O)NC(=O)N1
Synonym	barbituric acid,malonylurea,2,4,6 1h,3h,5h-pyrimidinetrione,6-hydroxyuracil,pyrimidinetrione,2,4,6-trihydroxypyrimidine,2,4,6-pyrimidinetrione,pyrimidine-2,4,6 1h,3h,5h-trione,barbiturate,malonylharnstoff
IUPAC Name	1,3-diazinane-2,4,6-trione
InChI Key	HNYOPLTXPVRDBG-UHFFFAOYSA-N
Molecular Formula	C4H4N2O3

Barbituric Acid (Laboratory), Fisher Chemical

Pricing & Availability
Specifications

PubChem CID	6211
CAS	67-52-7
Molecular Weight (g/mol)	128.09
ChEBI	CHEBI:16294
MDL Number	MFCD00006666
SMILES	O=C1CC(=O)NC(=O)N1
Synonym	barbituric acid,malonylurea,2,4,6 1h,3h,5h-pyrimidinetrione,6-hydroxyuracil,pyrimidinetrione,2,4,6-trihydroxypyrimidine,2,4,6-pyrimidinetrione,pyrimidine-2,4,6 1h,3h,5h-trione,barbiturate,malonylharnstoff
IUPAC Name	1,3-diazinane-2,4,6-trione
InChI Key	HNYOPLTXPVRDBG-UHFFFAOYSA-N
Molecular Formula	C4H4N2O3

4-(1,3-Dimethyl-2,4,6-trioxohexahydropyrimidin-5-ylidenemethyl)benzeneboronic acid pinacol ester, Thermo Scientific™

CAS: 1218790-48-7 Molecular Formula: C19H23BN2O5 Molecular Weight (g/mol): 370.212 MDL Number: MFCD11113040 InChI Key: AWWSBYIWDATYAG-UHFFFAOYSA-N Synonym: 1,3-dimethyl-5-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-benzylidene-pyrimidine-2,4,6-trione,1,3-dimethyl-5-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methylidene-1,3-diazinane-2,4,6-trione,4-1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-ylidenemethyl benzeneboronic acid pinacol ester,amtb129,1,3-dimethyl-5-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methylidene pyrimidine-2,4,6 1h,3h,5h-trione,1-5-benzylidene-1,3-dimethylpyrimidine-2,4,6 1h,3h,5h-trione-4-boronic acid pinacol ester,5-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-benzylidene-1,3-dimethylpyrimidine-2,4,6 1h,3h,5h-trione PubChem CID: 46739748 IUPAC Name: 1,3-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C=C3C(=O)N(C(=O)N(C3=O)C)C

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Specifications

PubChem CID	46739748
CAS	1218790-48-7
Molecular Weight (g/mol)	370.212
MDL Number	MFCD11113040
SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C=C3C(=O)N(C(=O)N(C3=O)C)C
Synonym	1,3-dimethyl-5-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-benzylidene-pyrimidine-2,4,6-trione,1,3-dimethyl-5-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methylidene-1,3-diazinane-2,4,6-trione,4-1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-ylidenemethyl benzeneboronic acid pinacol ester,amtb129,1,3-dimethyl-5-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methylidene pyrimidine-2,4,6 1h,3h,5h-trione,1-5-benzylidene-1,3-dimethylpyrimidine-2,4,6 1h,3h,5h-trione-4-boronic acid pinacol ester,5-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-benzylidene-1,3-dimethylpyrimidine-2,4,6 1h,3h,5h-trione
IUPAC Name	1,3-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
InChI Key	AWWSBYIWDATYAG-UHFFFAOYSA-N
Molecular Formula	C19H23BN2O5

1,3-Dimethylbarbituric acid, 99% (dry wt.), water <6%, Thermo Scientific Chemicals

CAS: 769-42-6 Molecular Formula: C6H8N2O3 Molecular Weight (g/mol): 156.141 MDL Number: MFCD00006675 InChI Key: VVSASNKOFCZVES-UHFFFAOYSA-N Synonym: 1,3-dimethylbarbituric acid,n,n'-dimethylbarbituric acid,2,4,6 1h,3h,5h-pyrimidinetrione, 1,3-dimethyl,1,3-dimethylbarbituricacid,barbituric acid, 1,3-dimethyl,1,3-dimethylpyrimidine-2,4,6 1h,3h,5h-trione,1,3-dimethyl barbituric acid,1,3-dimethyl-2,4,6 1h,3h,5h-pyrimidinetrione,1,3-dimethyl-2,4,6 1h,3h,5h pyrimidinetrione,1,3-dimethyl-1,3,5-trihydropyrimidine-2,4,6-trione PubChem CID: 69860 IUPAC Name: 1,3-dimethyl-1,3-diazinane-2,4,6-trione SMILES: CN1C(=O)CC(=O)N(C1=O)C

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Specifications

PubChem CID	69860
CAS	769-42-6
Molecular Weight (g/mol)	156.141
MDL Number	MFCD00006675
SMILES	CN1C(=O)CC(=O)N(C1=O)C
Synonym	1,3-dimethylbarbituric acid,n,n'-dimethylbarbituric acid,2,4,6 1h,3h,5h-pyrimidinetrione, 1,3-dimethyl,1,3-dimethylbarbituricacid,barbituric acid, 1,3-dimethyl,1,3-dimethylpyrimidine-2,4,6 1h,3h,5h-trione,1,3-dimethyl barbituric acid,1,3-dimethyl-2,4,6 1h,3h,5h-pyrimidinetrione,1,3-dimethyl-2,4,6 1h,3h,5h pyrimidinetrione,1,3-dimethyl-1,3,5-trihydropyrimidine-2,4,6-trione
IUPAC Name	1,3-dimethyl-1,3-diazinane-2,4,6-trione
InChI Key	VVSASNKOFCZVES-UHFFFAOYSA-N
Molecular Formula	C6H8N2O3

Alloxan monohydrate, 98%, Thermo Scientific Chemicals

CAS: 2244-11-3 Molecular Formula: C4H4N2O5 MDL Number: MFCD00149399 InChI Key: ZIIHZVKHFWOENY-UHFFFAOYSA-N

Pricing & Availability
Specifications

CAS	2244-11-3
MDL Number	MFCD00149399
InChI Key	ZIIHZVKHFWOENY-UHFFFAOYSA-N
Molecular Formula	C4H4N2O5

Isopropylbarbituric acid, 97%, Thermo Scientific™

CAS: 7391-69-7 Molecular Formula: C7H10N2O3 Molecular Weight (g/mol): 170.168 InChI Key: GFPIGNBQTXNNAG-UHFFFAOYSA-N Synonym: 5-isopropylbarbituric acid,2,4,6 1h,3h,5h-pyrimidinetrione, 5-1-methylethyl,5-isopropylpyrimidine-2,4,6 1h,3h,5h-trione,5-isopropyl barbituric acid,barbituric acid, 5-isopropyl,barbituric acid, 5-ipr,2,6 1h,3h,5h-pyrimidinetrione, 5-1-methylethyl,5-1-methylethyl pyrimidine-2,4,6 1h,3h,5h-trione PubChem CID: 81874 IUPAC Name: 5-propan-2-yl-1,3-diazinane-2,4,6-trione SMILES: CC(C)C1C(=O)NC(=O)NC1=O

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Specifications

PubChem CID	81874
CAS	7391-69-7
Molecular Weight (g/mol)	170.168
SMILES	CC(C)C1C(=O)NC(=O)NC1=O
Synonym	5-isopropylbarbituric acid,2,4,6 1h,3h,5h-pyrimidinetrione, 5-1-methylethyl,5-isopropylpyrimidine-2,4,6 1h,3h,5h-trione,5-isopropyl barbituric acid,barbituric acid, 5-isopropyl,barbituric acid, 5-ipr,2,6 1h,3h,5h-pyrimidinetrione, 5-1-methylethyl,5-1-methylethyl pyrimidine-2,4,6 1h,3h,5h-trione
IUPAC Name	5-propan-2-yl-1,3-diazinane-2,4,6-trione
InChI Key	GFPIGNBQTXNNAG-UHFFFAOYSA-N
Molecular Formula	C7H10N2O3

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Barbituric Acid

Barbituric Acid

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Barbituric Acid, 99%, Spectrum™ Chemical Supplier Diversity PartnerSmall and/or diverse supplier based on Federal laws and SBA requirements.Learn More

Barbituric Acid, 99%, Spectrum™ Chemical