SpectraBase Spectrum ID |
5W1NKKaw8tU |
Name |
Allobarbitone |
CAS Registry Number |
52-43-7 |
Classification |
Pharmaceutical drug, hypnotic |
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 |
967 |
Retention Index |
1582 |
SMILES |
C1(C(NC(NC1=O)=O)=O)(CC=C)CC=C |
SPLASH |
splash10-0frf-9300000000-a2861941a76165163b46 |
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_000064 |