Pentobarbital
7361
Reference
Pentobarbital Structure
Systematic / IUPAC Name: 5-Ethyl-5-(2-pentanyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
ID: Reference7361
Other Names:
Aethaminalum;
Dorsital;
Etaminal;
Ethaminal;
Mebubarbital
; more
Formula: C11H18N2O3
Class: Therapeutics/Prescription Drugs Drugs of Abuse/Illegal Drugs Sports Doping Drugs
Spectral Data
Pentobarbital mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap; Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 93 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 11/20/2018 6:35:48 AM |
Identificators
| InChI | InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16) |
| InChI Key | WEXRUCMBJFQVBZ-UHFFFAOYSA-N |
| Canonical SMILES | CCCC(C)C1(C(=O)NC(=O)NC1=O)CC |
| CAS | 76744 |
| Splash | |
| Other Names |
Aethaminalum; Dorsital; Etaminal; Ethaminal; Mebubarbital; Mebumal; Nebralin; Neodorm; Neodorm (new); Neodorm (van); Pentabarbital; Pentabarbitone; Pentobarbitalum; Pentobarbitone; Pentobarbiturate; Pentobarbituric acid; Phetobarbitone; Rivadorm; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-; 5-Ethyl-2-hydroxy-5-(1-methylbutyl)pyrimidine-4,6(1H,5H)-dione; 5-Ethyl-5-(sec-pentyl)barbituric acid; 5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-Ethyl-5-(1-methylbutyl)barbituric acid; 5-Ethyl-5-(1-methylbutyl)hexahydropyrimidine-2,4,6-trione; 5-Ethyl-5-(1-methylbutyl)malonylurea; 5-Ethyl-5-(1-methyl-butyl)-pyrimidine-2,4,6-trione; 5-Ethyl-5-(pentan-2-yl)-1,3-diazinane-2,4,6-trione; 5-Ethyl-5-(pentan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione; 5-Ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione; Barbituric acid, 5-ethyl-5-(1-methylbutyl)-; Barbituric acid, 5-ethyl-5-(2-pentyl)- |