| SpectraBase Spectrum ID |
8HB8bkK2nZI |
| Name |
Hexobarbital- M (Oxo) |
| CAS Registry Number |
427-30-5 |
| Classification |
Pharmaceutical drug metabolite |
| 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 |
250.095356935 u |
| Formula |
C12H14N2O4 |
| InChI |
InChI=1S/C12H14N2O4/c1-12(7-3-5-8(15)6-4-7)9(16)13-11(18)14(2)10(12)17/h3H,4-6H2,1-2H3,(H,13,16,18) |
| InChIKey |
LVAIIBWFDCMYDN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
250.254 g/mol |
| Nominal Mass |
250 u |
| Quality |
997 |
| Retention Index |
1999 |
| SMILES |
C1(C(NC(N(C1=O)C)=O)=O)(C1=CCC(CC1)=O)C |
| SPLASH |
splash10-0frj-9330000000-beef6432a2dd4e6e75f9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3'-Ketohexobarbitone
1,5-Dimethyl-5-(3-oxocyclohex-1-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014203 |
