| SpectraBase Spectrum ID |
JiSbPJ0qSlu |
| Name |
Thebaine |
| CAS Registry Number |
115-37-7 |
| Classification |
Pharmaceutical drug, antitussive |
| 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 §1308.12 (b) (1) (xviii) |
| DEA Controlled Substance Name |
Thebaine |
| DEA Controlled Substance Type |
Salts |
| DEA Controlled Substances Code Number |
9333 |
| DEA Schedule |
Schedule II |
| DEA Section |
Substances, vegetable origin or chemical synthesis. Unless specifically excepted or unless listed in another schedule, any of the following substances whether produced directly or indirectly by extraction from substances of vegetable origin, or independently by means of chemical synthesis, or by a combination of extraction and chemical synthesis |
| Exact Mass |
311.152143537 u |
| Formula |
C19H21NO3 |
| InChI |
InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1 |
| InChIKey |
FQXXSQDCDRQNQE-VMDGZTHMSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
311.381 g/mol |
| Nominal Mass |
311 u |
| Quality |
990 |
| Retention Index |
2517 |
| SMILES |
[C@]123C4=C5O[C@]3(C(=CC=C1[C@@](CC4=CC=C5OC)(N(CC2)C)[H])OC)[H] |
| SPLASH |
splash10-03dj-1494000000-1ed35856dc99b8d2aebb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4,(5a)-Epoxy-3,6-dimethoxy-17-methylmorphina-6,8-dien |
| Technique |
GC/MS |
| Wiley ID |
DD2024_029762 |
