| SpectraBase Spectrum ID |
1sTo2VKtSFK |
| Name |
Heptobarbital |
| CAS Registry Number |
76-94-8 |
| Classification |
Pharmaceutical drug, hypnotic |
| 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 |
218.069142187 u |
| Formula |
C11H10N2O3 |
| InChI |
InChI=1S/C11H10N2O3/c1-11(7-5-3-2-4-6-7)8(14)12-10(16)13-9(11)15/h2-6H,1H3,(H2,12,13,14,15,16) |
| InChIKey |
LSAOZCAKUIANSQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
218.212 g/mol |
| Nominal Mass |
218 u |
| Quality |
983 |
| Retention Index |
1824 |
| SMILES |
C1(C(NC(NC1=O)=O)=O)(C1=CC=CC=C1)C |
| SPLASH |
splash10-0udi-6920000000-e646b98476a36016ace4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Phenylmethylbarbituric acid
5-Methyl-5-phenyl-1,3-diazinane-2,4,6-trione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001596 |
