SpectraBase Spectrum ID |
3A1kpx7Pq23 |
Name |
Propallylonal |
CAS Registry Number |
545-93-7 |
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 |
288.010955284 u |
Formula |
C10H13BrN2O3 |
InChI |
InChI=1S/C10H13BrN2O3/c1-4-6(11)10(5(2)3)7(14)12-9(16)13-8(10)15/h4-6H,1H2,2-3H3,(H2,12,13,14,15,16) |
InChIKey |
FILWWOHYPZZWJC-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
289.129 g/mol |
Nominal Mass |
288 u |
Quality |
996 |
Retention Index |
1998 |
SMILES |
C1(C(NC(NC1=O)=O)=O)(C(C=C)Br)C(C)C |
SPLASH |
splash10-066r-6940000000-4ddac2241de89d774f66 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Bromoaprobarbital
Ibomal
Propyallylonal
5-(2-Bromoprop-2-enyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione |
Technique |
GC/MS |
Wiley ID |
DD2024_003754 |