| SpectraBase Spectrum ID |
8JRKWYEi3Zw |
| Name |
Secobarbital 2ME |
| CAS Registry Number |
28239-49-8 |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
266.163042573 u |
| Formula |
C14H22N2O3 |
| InChI |
InChI=1S/C14H22N2O3/c1-6-8-10(3)14(9-7-2)11(17)15(4)13(19)16(5)12(14)18/h7,10H,2,6,8-9H2,1,3-5H3 |
| InChIKey |
KKPCLTFASPTTIQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
266.341 g/mol |
| Nominal Mass |
266 u |
| Quality |
908 |
| Retention Index |
2035 |
| SMILES |
C1(C(N(C(N(C1=O)C)=O)C)=O)(C(CCC)C)CC=C |
| SPLASH |
splash10-0002-5900000000-0c6c597cf1f3a5ac6be2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,3-dimethyl-5-(pentan-2-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009321 |
