| SpectraBase Spectrum ID |
JIcrbPk7HlI |
| Name |
Pentobarbitone 2ME |
| CAS Registry Number |
28239-47-6 |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| 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 |
254.163042573 u |
| Formula |
C13H22N2O3 |
| InChI |
InChI=1S/C13H22N2O3/c1-6-8-9(3)13(7-2)10(16)14(4)12(18)15(5)11(13)17/h9H,6-8H2,1-5H3 |
| InChIKey |
VZZFPHAKJNPXQY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
254.330 g/mol |
| Nominal Mass |
254 u |
| Quality |
902 |
| Retention Index |
1947 |
| SMILES |
C1(C(N(C(N(C1=O)C)=O)C)=O)(C(CCC)C)CC |
| SPLASH |
splash10-0159-1900000000-a28a515f957c63e7a4ed |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-ethyl-1,3-dimethyl-5-(pentan-2-yl)-1,3-diazinane-2,4,6-trione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003508 |
