| SpectraBase Spectrum ID |
8HGTFMI7LPs |
| Name |
Heptabarbitone |
| CAS Registry Number |
509-86-4 |
| Classification |
Pharmaceutical drug, hypnotic |
| Comments |
Spectrum verified by crosschecking against external libraries (four 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 |
250.131742445 u |
| Formula |
C13H18N2O3 |
| InChI |
InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18) |
| InChIKey |
PAZQYDJGLKSCSI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
250.298 g/mol |
| Nominal Mass |
250 u |
| Quality |
990 |
| Retention Index |
2055 |
| SMILES |
C1(C(NC(NC1=O)=O)=O)(C1=CCCCCC1)CC |
| SPLASH |
splash10-00di-9470000000-68174cc8ebea9e95461a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Heptabarbital
5-(1-Cycloheptenyl)-5-ethyl-1,3-diazinane-2,4,6-trione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001589 |
