General Information of the Compound
| Compound ID |
CP0872714
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Hexobarbital
Show/Hide
|
||||||||||||||||||
| Synonyms |
(+-)-Hexobarbital
1,5-Dimethyl-5-(1-cyclohexenyl)barbituric acid
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl
5-(1-CYCLOHEXEN-1-YL)-1,5-DIMETHYLBARBITURIC ACID
5-(1-Cyclohexen-1-yl)-1,5-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
5-(1-Cyclohexenyl)-1,5-dimethylbarbituric acid
5-(1-Cyclohexenyl-1)-1-methyl-5-methylbarbituric acid
5-(cyclohex-1-en-1-yl)-1,5-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione
5-(delta-1,2-Cyclohexenyl)-5-methyl-N-methyl-barbitursaeure [German]
5-(delta-1,2-cyclohexenyl)-5-methyl-N-methyl-barbitursaeure
5-(delta.-1,2-cyclohexenyl)-5-methyl-N-methyl-barbitursaeure
5-cyclohex-1-en-1-yl-1,5-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
5-cyclohex-1-en-1-yl-2-hydroxy-1,5-dimethylpyrimidine-4,6(1H,5H)-dione
Barbidorm
Citodon
Citopan
Citopan (TN)
Cyclonal
Cyclopan
Dorico
Enhexymal
Enhexymalum
Esobarbitale
Esobarbitale [DCIT]
Esobarbitale [Italian]
Evipal
Evipan
Evipan (TN)
Hexabarbital;Hexobarbitalum
Hexanastab oral
Hexenal (barbiturate)
Hexobarbital
Hexobarbital (JAN/INN)
Hexobarbital (VAN)
Hexobarbital [INN:JAN]
Hexobarbitalum [INN-Latin]
Hexobarbitone
Hexobarbitonum
Methexenyl
Methylhexabarbital
Methylhexabital
N-Methyl-5-cyclohexenyl-5-methylbarbituric acid
Narcosan
Noctivane
Sodium hexobarbital
Sombucaps
Sombulex
Somnalert
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H16N2O3
|
||||||||||||||||||
| Molecular Weight |
236.271
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)NC(=O)C(C)(C2=CCCCC2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UYXAWHWODHRRMR-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
56-29-1
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound