| SpectraBase Spectrum ID |
8JfPigxVD3Q |
| Name |
Pentobarbital-d5 |
| CAS Registry Number |
52944-66-8 |
| Classification |
Analytical reference standard |
| Comments |
Spectrum verified by crosschecking against external libraries (three 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 §1308.13 (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 |
231.163126174 u |
| Formula |
C11H13D5N2O3 |
| 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)/i2D3,5D2 |
| InChIKey |
WEXRUCMBJFQVBZ-ZTIZGVCASA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
231.307 g/mol |
| Nominal Mass |
231 u |
| Quality |
945 |
| Retention Index |
1960 |
| SMILES |
C1(C(C([D])([D])[D])([D])[D])(C(NC(NC1=O)=O)=O)C(CCC)C |
| SPLASH |
splash10-03dl-3900000000-f14794431b28f6b7c776 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-(1,1,2,2,2-(2)H5)ethyl-5-(pentan-2-yl)-1,3-diazinane-2,4,6-trione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032631 |
