| SpectraBase Spectrum ID |
5ZYLog7aYcq |
| Name |
Pentobarbitone |
| CAS Registry Number |
76-74-4 |
| 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 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| DEA Citation |
21 CFR §1308.12 (e) (3) |
| DEA Controlled Substance Name |
Pentobarbital |
| DEA Controlled Substance Type |
Salts, isomers, and salts of isomers |
| DEA Controlled Substances Code Number |
2270 |
| DEA Schedule |
Schedule II |
| 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, including its salts, isomers, and salts of isomers whenever the existence of such salts, isomers, and salts of isomers is possible within the specific chemical designation |
| Exact Mass |
226.131742445 u |
| Formula |
C11H18N2O3 |
| 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) |
| InChIKey |
WEXRUCMBJFQVBZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
226.276 g/mol |
| Nominal Mass |
226 u |
| Quality |
995 |
| Retention Index |
1823 |
| SMILES |
C1(C(NC(NC1=O)=O)=O)(C(CCC)C)CC |
| SPLASH |
splash10-052f-6900000000-92bdcab244bbb188f766 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Pentobarbital
5-Ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_029791 |
