| SpectraBase Spectrum ID |
GUoelNqkb7A |
| Name |
Allobarbitone |
| CAS Registry Number |
52-43-7 |
| Classification |
Pharmaceutical drug, hypnotic |
| Comments |
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 |
208.084792251 u |
| Formula |
C10H12N2O3 |
| InChI |
InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15) |
| InChIKey |
FDQGNLOWMMVRQL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
208.217 g/mol |
| Nominal Mass |
208 u |
| Quality |
910 |
| Retention Index |
1582 |
| SMILES |
C1(C(NC(NC1=O)=O)=O)(CC=C)CC=C |
| SPLASH |
splash10-014i-9800000000-5c6eb797f01f95c89b6a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Allobarbital
Diallylbarbital
5,5-Diallylbarbituric acid
5,5-Diprop-2-enyl-1,3-diazinane-2,4,6-trione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024999 |
