| SpectraBase Spectrum ID |
7KX40nxrzzZ |
| Name |
Phenobarbitone |
| CAS Registry Number |
50-06-6 |
| Classification |
Pharmaceutical drug, anticonvulsant |
| 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 |
232.084792251 u |
| Formula |
C12H12N2O3 |
| InChI |
InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17) |
| InChIKey |
DDBREPKUVSBGFI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
232.239 g/mol |
| Nominal Mass |
232 u |
| Quality |
999 |
| Retention Index |
2035 |
| SMILES |
C1(C(NC(NC1=O)=O)=O)(C1=CC=CC=C1)CC |
| SPLASH |
splash10-0uxr-5950000000-c01da6c682bc0f30ed97 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Phenobarbital
5-Ethyl-5-phenyl-1,3-diazinane-2,4,6-trione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019601 |
