Butalbital
2963
Reference
Butalbital Structure
Systematic / IUPAC Name: 5-Allyl-4,6-dihydroxy-5-isobutyl-2(5H)-pyrimidinone
ID: Reference2963
Other Names:
Alisobumal;
Alisobumalum;
Allylbarbital;
Allylbarbitone;
Allylbarbituric acid
; more
Formula: C11H16N2O3
Class: Therapeutics/Prescription Drugs Drugs of Abuse/Illegal Drugs Sports Doping Drugs
Spectral Data
Butalbital 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 | 3 |
| No. of Spectra | 254 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI; APCI |
| Analyzers | FT |
| Last Modification | 11/30/2018 8:50:56 AM |
Identificators
| InChI | InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16) |
| InChI Key | UZVHFVZFNXBMQJ-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C |
| CAS | 77269 |
| Splash | |
| Other Names |
Alisobumal; Alisobumalum; Allylbarbital; Allylbarbitone; Allylbarbituric acid; Butalbarbital; Butalbitalum; Itobarbital; Optalidon; Profundal; Sandoptal (TN); Tetrallobarbital; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-5-(2-propenyl)-; 4,6-Dihydroxy-5-(2-methylpropyl)-5-(prop-2-en-1-yl)-2,5-dihydropyrimidin-2-one; 5-(2-Methylpropyl)-5-prop-2-en-1-ylpyrimidine-2,4,6(1H,3H,5H)-trione; 5-(2-Methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione; 5-Allyl-5-(2-methylpropyl)barbituric acid; 5-Allyl-5-isobutyl-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-Allyl-5-isobutylbarbituric acid; 5-Allyl-5-isobutyl-hexahydropyrimidine-2,4,6-trione; 5-Allyl-5-isobutyl-pyrimidine-2,4,6-trione; Allylisobutylbarbital; Allylisobutylbarbiturate; Allylisobutylbarbituric acid; Barbituric acid, 5-allyl-5-isobutyl-; Isobutylallylbarbituric acid; Isobutylallylbarturic acid |