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Barbitursäure

Barbitursäure ist die Mutterverbindung von Barbituratpräparaten; eine organische Säure, die auf einem pyrimidinheterozyklischen Skelett basiert. Die Verbindung kann in der Knoevenagel-Kondensationsreaktion für die Synthese einer Vielzahl von Sedativa für das zentrale Nervensystem verwendet werden.
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Sonderaktionen verfügbar

Barbitursäure, 99+ %, Thermo Scientific Chemicals

CAS: 67-52-7 Summenformel: C4H4N2O3 Molekulargewicht (g/mol): 128.09 MDL-Nummer: MFCD00006666 InChI-Schlüssel: 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-Diazinan-2,4,6-trion SMILES: O=C1CC(=O)NC(=O)N1

InChI-Schlüssel HNYOPLTXPVRDBG-UHFFFAOYSA-N
IUPAC-Name 1,3-Diazinan-2,4,6-trion
PubChem CID 6211
CAS 67-52-7
ChEBI CHEBI:16294
MDL-Nummer MFCD00006666
Molekulargewicht (g/mol) 128.09
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
Summenformel C4H4N2O3
2

1,3-Dimethylbarbitursäure, 99 % (Trockengewicht), Wasser < 6 %, Thermo Scientific Chemicals

CAS: 769-42-6 Summenformel: C6H8N2O3 Molekulargewicht (g/mol): 156.141 MDL-Nummer: MFCD00006675 InChI-Schlüssel: 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-Diazinan-2,4,6-Trion SMILES: CN1C(=O)CC(=O)N(C1=O)C

InChI-Schlüssel VVSASNKOFCZVES-UHFFFAOYSA-N
IUPAC-Name 1,3-Dimethyl-1,3-Diazinan-2,4,6-Trion
PubChem CID 69860
CAS 769-42-6
MDL-Nummer MFCD00006675
Molekulargewicht (g/mol) 156.141
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
Summenformel C6H8N2O3
3

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

CAS: 2217-02-9 MDL-Nummer: MFCD00003760

CAS 2217-02-9
MDL-Nummer MFCD00003760
4

Murexid, Thermo Scientific Chemicals

CAS: 3051-09-0 Summenformel: C8H3N5O6-2 Molekulargewicht (g/mol): 265.141 MDL-Nummer: MFCD00012777 InChI-Schlüssel: 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]-1 H-pyrimidin-2,4-Diolat SMILES: C1(=C(N=C(NC1=O)[O-])[O-])N=C2C(=O)NC(=O)NC2=O

EDGE
InChI-Schlüssel MUMMBXDKKJEASE-UHFFFAOYSA-L
IUPAC-Name 6-oxo-5-[(2,4,6 -trioxo-1,3 -diazinan-5 -ylidene)amino]-1 H-pyrimidin-2,4-Diolat
PubChem CID 51381221
CAS 3051-09-0
MDL-Nummer MFCD00012777
Molekulargewicht (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
Summenformel C8H3N5O6-2
5

Alloxan-Monohydrat, 98 %, Thermo Scientific Chemicals

CAS: 3237-50-1 Summenformel: C4H4N2O5 Molekulargewicht (g/mol): 160.085 MDL-Nummer: MFCD00149399 InChI-Schlüssel: 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-diazinan-2,4,6-trion SMILES: C1(=O)C(C(=O)NC(=O)N1)(O)O

InChI-Schlüssel ZIIHZVKHFWOENY-UHFFFAOYSA-N
IUPAC-Name 5,5-Dihydroxy-1,3-diazinan-2,4,6-trion
PubChem CID 312231
CAS 3237-50-1
MDL-Nummer MFCD00149399
Molekulargewicht (g/mol) 160.085
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
Summenformel C4H4N2O5
6

Alloxan-Monohydrat, 98 %, Thermo Scientific Chemicals

CAS: 3237-50-1 Summenformel: C4H4N2O5 MDL-Nummer: MFCD00149399 InChI-Schlüssel: ZIIHZVKHFWOENY-UHFFFAOYSA-N

InChI-Schlüssel ZIIHZVKHFWOENY-UHFFFAOYSA-N
CAS 3237-50-1
MDL-Nummer MFCD00149399
Summenformel C4H4N2O5
7

5,5-Dibrombarbitursäure, 97 %, Thermo Scientific Chemicals

CAS: 511-67-1 Summenformel: C4H2Br2N2O3 Molekulargewicht (g/mol): 285.88 MDL-Nummer: MFCD00010595 InChI-Schlüssel: AMATXUCYHHHHHB-UHFFFAOYSA-N Synonym: 5,5-dibromobarbituric acid,dibromin,5,5-dibromopyrimidine-2,4,6 1h,3h,5h-trione,2,4,6 1h,3h,5h-pyrimidinetrione, 5,5-dibromo,dibrombarbitursaure,dibromobarbituric acid,acmc-20am7j,barbituric acid,5-dibromo,diethyl trimethylsilylphosphate PubChem CID: 94877 IUPAC-Name: 5,5-Dibrom-1,3-Diazinan-2,4,6-Trion SMILES: BrC1(Br)C(=O)NC(=O)NC1=O

InChI-Schlüssel AMATXUCYHHHHHB-UHFFFAOYSA-N
IUPAC-Name 5,5-Dibrom-1,3-Diazinan-2,4,6-Trion
PubChem CID 94877
CAS 511-67-1
MDL-Nummer MFCD00010595
Molekulargewicht (g/mol) 285.88
SMILES BrC1(Br)C(=O)NC(=O)NC1=O
Synonym 5,5-dibromobarbituric acid,dibromin,5,5-dibromopyrimidine-2,4,6 1h,3h,5h-trione,2,4,6 1h,3h,5h-pyrimidinetrione, 5,5-dibromo,dibrombarbitursaure,dibromobarbituric acid,acmc-20am7j,barbituric acid,5-dibromo,diethyl trimethylsilylphosphate
Summenformel C4H2Br2N2O3
9

1-Benzyl-5-Phenylbarbitursäure, 98+ %, Thermo Scientific Chemicals

CAS: 72846-00-5 Summenformel: C17H14N2O3 Molekulargewicht (g/mol): 294.31 MDL-Nummer: MFCD00082750 InChI-Schlüssel: KCWWCWMGJOWTMY-UHFFFAOYNA-N Synonym: 1-benzyl-5-phenylbarbituric acid,1-benzyl-5-phenylpyrimidine-2,4,6 1h,3h,5h-trione,benzyl-5-phenylbarbituric acid,2,4,6 1h,3h,5h-pyrimidinetrione, 5-phenyl-1-phenylmethyl,1-phenylmethyl-5-phenyl-barbituric acid,5-phenyl-1-benzyl-1,3,5-trihydropyrimidine-2,4,6-trione,acmc-1bb85,1-benzyl-5-phenylbarbiturate,1-benzyl-5-phenylbarbituricacid,1-benzyl-5-phenylbarbituric acid 5g PubChem CID: 166340 IUPAC-Name: 1-Benzyl-5-phenyl-1,3-diazinan-2,4,6-trion SMILES: O=C1NC(=O)N(CC2=CC=CC=C2)C(=O)C1C1=CC=CC=C1

InChI-Schlüssel KCWWCWMGJOWTMY-UHFFFAOYNA-N
IUPAC-Name 1-Benzyl-5-phenyl-1,3-diazinan-2,4,6-trion
PubChem CID 166340
CAS 72846-00-5
MDL-Nummer MFCD00082750
Molekulargewicht (g/mol) 294.31
SMILES O=C1NC(=O)N(CC2=CC=CC=C2)C(=O)C1C1=CC=CC=C1
Synonym 1-benzyl-5-phenylbarbituric acid,1-benzyl-5-phenylpyrimidine-2,4,6 1h,3h,5h-trione,benzyl-5-phenylbarbituric acid,2,4,6 1h,3h,5h-pyrimidinetrione, 5-phenyl-1-phenylmethyl,1-phenylmethyl-5-phenyl-barbituric acid,5-phenyl-1-benzyl-1,3,5-trihydropyrimidine-2,4,6-trione,acmc-1bb85,1-benzyl-5-phenylbarbiturate,1-benzyl-5-phenylbarbituricacid,1-benzyl-5-phenylbarbituric acid 5g
Summenformel C17H14N2O3
11

5-Isopropylbarbitursäure, 98 %, Thermo Scientific™

CAS: 7391-69-7 Summenformel: C7H10N2O3 Molekulargewicht (g/mol): 170.168 MDL-Nummer: MFCD00051832 InChI-Schlüssel: 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-Diazinan-2,4,6-Trion SMILES: CC(C)C1C(=O)NC(=O)NC1=O

InChI-Schlüssel GFPIGNBQTXNNAG-UHFFFAOYSA-N
IUPAC-Name 5-Propan-2-yl-1,3-Diazinan-2,4,6-Trion
PubChem CID 81874
CAS 7391-69-7
MDL-Nummer MFCD00051832
Molekulargewicht (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
Summenformel C7H10N2O3
12

Isopropylbarbitursäure, 97 %, ACROS Organics™

CAS: 7391-69-7 Summenformel: C7H10N2O3 Molekulargewicht (g/mol): 170.168 InChI-Schlüssel: 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-Diazinan-2,4,6-Trion SMILES: CC(C)C1C(=O)NC(=O)NC1=O

InChI-Schlüssel GFPIGNBQTXNNAG-UHFFFAOYSA-N
IUPAC-Name 5-Propan-2-yl-1,3-Diazinan-2,4,6-Trion
PubChem CID 81874
CAS 7391-69-7
Molekulargewicht (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
Summenformel C7H10N2O3