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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

Murexide

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

EDGE
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
2

Alloxan monohydrate, 98%

CAS: 3237-50-1 Molecular Formula: C4H4N2O5 Molecular Weight (g/mol): 160.085 MDL Number: MFCD00149399 InChI Key: ZIIHZVKHFWOENY-UHFFFAOYSA-N Synonym: barbituric acid, 5,5-dihydroxy,2,4,6 1h,3h,5h-pyrimidinetrione, 5,5-dihydroxy,unii-o2aap9f8b6,5,5-dihydroxybarbituric acid,ccris 5957,mesoxalylurea monohydrate,2,4,5,6 1h,3h-pyrimidinetetrone hydrate,5,5-dihydroxyperhydropyrimidinetrione,5,5-dihydroxy-2,4,6 1h,3h,5h-pyrimidinetrione,o2aap9f8b6 PubChem CID: 312231 IUPAC Name: 5,5-dihydroxy-1,3-diazinane-2,4,6-trione SMILES: C1(=O)C(C(=O)NC(=O)N1)(O)O

PubChem CID 312231
CAS 3237-50-1
Molecular Weight (g/mol) 160.085
MDL Number MFCD00149399
SMILES C1(=O)C(C(=O)NC(=O)N1)(O)O
Synonym barbituric acid, 5,5-dihydroxy,2,4,6 1h,3h,5h-pyrimidinetrione, 5,5-dihydroxy,unii-o2aap9f8b6,5,5-dihydroxybarbituric acid,ccris 5957,mesoxalylurea monohydrate,2,4,5,6 1h,3h-pyrimidinetetrone hydrate,5,5-dihydroxyperhydropyrimidinetrione,5,5-dihydroxy-2,4,6 1h,3h,5h-pyrimidinetrione,o2aap9f8b6
IUPAC Name 5,5-dihydroxy-1,3-diazinane-2,4,6-trione
InChI Key ZIIHZVKHFWOENY-UHFFFAOYSA-N
Molecular Formula C4H4N2O5
3

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

CAS: 2217-02-9 MDL Number: MFCD00003760

CAS 2217-02-9
MDL Number MFCD00003760
4

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
5

5-Isopropylbarbituric acid, 98%, Thermo Scientific™

CAS: 7391-69-7 Molecular Formula: C7H10N2O3 Molecular Weight (g/mol): 170.168 MDL Number: MFCD00051832 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
MDL Number MFCD00051832
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