| SpectraBase Spectrum ID |
2msB4V846We |
| Name |
Secbutobarbital |
| CAS Registry Number |
125-40-6 |
| Classification |
Pharmaceutical drug, hypnotic |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| 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 |
212.116092380 u |
| Formula |
C10H16N2O3 |
| InChI |
InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15) |
| InChIKey |
ZRIHAIZYIMGOAB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
212.249 g/mol |
| Nominal Mass |
212 u |
| Quality |
880 |
| Retention Index |
1723 |
| SMILES |
C1(C(NC(NC1=O)=O)=O)(C(CC)C)CC |
| SPLASH |
splash10-0a4l-2900000000-d51250864c728bc97116 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Butabarbital
5-(Butan-2-yl)-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004681 |
