Secobarbital
2512
Reference
Secobarbital Structure
Systematic / IUPAC Name: 5-Pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
ID: Reference2512
Other Names:
Seconal;
Quinalbarbitone;
Meballymal;
Secobarbitone;
Quinalbarbital
; more
Formula: C12H18N2O3
Class: Therapeutics/Prescription Drugs Drugs of Abuse/Illegal Drugs Sports Doping Drugs
Spectral Data
Secobarbital 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 HF Orbitrap; Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 120 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 11/30/2018 8:52:38 AM |
Identificators
| InChI | InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17) |
| InChI Key | KQPKPCNLIDLUMF-UHFFFAOYSA-N |
| Canonical SMILES | CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C |
| CAS | 76733 |
| Splash | |
| Other Names |
Seconal; Quinalbarbitone; Meballymal; Secobarbitone; Quinalbarbital; Secobarbitalum; Evronal; 5-Allyl-5-(1-methylbutyl)barbituric acid; Hypotrol; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-; Barbituric acid, 5-allyl-5-(1-methylbutyl)-; Meballymalum; Hyptran; Somosal; 5-Allyl-5-(1-methylbutyl)barbiturate; 5-Allyl-5-(1-methylbutyl)malonylurea; 5-(1-Methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-Allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-Allyl-5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione; 5-(Pentan-2-yl)-5-(prop-2-en-1-yl)-pyrimidine-2,4,6(1H,3H,5H)-trione |