| SpectraBase Spectrum ID |
GXtEy2XMp8a |
| Name |
Butalbital |
| CAS Registry Number |
77-26-9 |
| Classification |
Pharmaceutical drug, hypnotic |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| DEA Citation |
21 CFR §1308.13 (c) (3) |
| DEA Controlled Substance Form |
Any compound, mixture or preparation |
| DEA Controlled Substance Name |
Barbituric acid derivatives |
| DEA Controlled Substance Type |
Salts, isomers, derivatives and salts of isomers and derivatives |
| DEA Controlled Substances Code Number |
2100 |
| DEA Schedule |
Schedule III |
| DEA Section |
Depressants. Unless specifically excepted or unless listed in another schedule, any material, compound, mixture, or preparation which contains any quantity of the following substances having a depressant effect on the central nervous system |
| Exact Mass |
224.116092380 u |
| Formula |
C11H16N2O3 |
| 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) |
| InChIKey |
UZVHFVZFNXBMQJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
224.260 g/mol |
| Nominal Mass |
224 u |
| Quality |
939 |
| Retention Index |
1735 |
| SMILES |
C1(C(NC(NC1=O)=O)=O)(CC(C)C)CC=C |
| SPLASH |
splash10-014i-5900000000-fb73e7f2652df9b4447a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-(2-methylpropyl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024948 |
