Barbituric Acid

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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1 – 13 of 13 results
1

Barbituric Acid, 99%, Spectrum™ Chemical
SDP

CAS: 67-52-7

CAS 67-52-7
2

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

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
3

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

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
4

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

CAS: 2217-02-9 MDL Number: MFCD00003760

CAS 2217-02-9
MDL Number MFCD00003760
5

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

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
6

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

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
7

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.

ENCOMPASS
8

Barbituric Acid, Fisher Chemical

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

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
9

Barbituric Acid (Laboratory), Fisher Chemical

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

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
10

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

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
11

Alloxan monohydrate, 98%, Thermo Scientific Chemicals

CAS: 3237-50-1 Molecular Formula: C4H4N2O5 MDL Number: MFCD00149399 InChI Key: ZIIHZVKHFWOENY-UHFFFAOYSA-N

CAS 3237-50-1
MDL Number MFCD00149399
InChI Key ZIIHZVKHFWOENY-UHFFFAOYSA-N
Molecular Formula C4H4N2O5
12

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

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
13

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

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