| SpectraBase Spectrum ID |
AT0peqtoGgB |
| Name |
Sigmodal |
| CAS Registry Number |
1216-40-6 |
| 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 |
316.042255412 u |
| Formula |
C12H17BrN2O3 |
| InChI |
InChI=1S/C12H17BrN2O3/c1-4-5-7(2)12(6-8(3)13)9(16)14-11(18)15-10(12)17/h7H,3-6H2,1-2H3,(H2,14,15,16,17,18) |
| InChIKey |
ZGVCLZRQOUEZHG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
317.183 g/mol |
| Nominal Mass |
316 u |
| Quality |
997 |
| Retention Index |
2298 |
| SMILES |
C1(C(NC(NC1=O)=O)=O)(C(CCC)C)CC(Br)=C |
| SPLASH |
splash10-014r-6940000000-12c53c705e4108e13ad1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-(2-Bromoprop-2-enyl)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003896 |
