| SpectraBase Spectrum ID |
1KXSTp7dRZ1 |
| Name |
Phenobarbitone-M (OH) 3ME |
| CAS Registry Number |
55125-17-2 |
| Classification |
Pharmaceutical drug metabolite |
| 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 |
290.126657064 u |
| Formula |
C15H18N2O4 |
| InChI |
InChI=1S/C15H18N2O4/c1-5-15(10-6-8-11(21-4)9-7-10)12(18)16(2)14(20)17(3)13(15)19/h6-9H,5H2,1-4H3 |
| InChIKey |
DXSNLTSPGXKKSM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
290.319 g/mol |
| Nominal Mass |
290 u |
| Quality |
911 |
| Retention Index |
2257 |
| SMILES |
C1(C(N(C(N(C1=O)C)=O)C)=O)(C1=CC=C(C=C1)OC)CC |
| SPLASH |
splash10-03ed-2690000000-6cec0b9be42419b67c31 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,3-Dimethyl-5-(4-methoxyphenyl)-5-ethyl-barbituric acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003544 |
