| SpectraBase Spectrum ID |
2kwKHYOj8qm |
| Name |
Codeine N-oxide |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| DEA Citation |
21 CFR §1308.11 (c) (5) |
| DEA Controlled Substance Name |
Codeine-N-oxide |
| DEA Controlled Substance Type |
Salts, isomers, and salts of isomers |
| DEA Controlled Substances Code Number |
9053 |
| DEA Schedule |
Schedule I |
| DEA Section |
(c) Opium derivatives. Unless specifically excepted or unless listed in another schedule, any of the following opium derivatives, its salts, isomers, and salts of isomers whenever the existence of such salts, isomers, and salts of isomers |
| Exact Mass |
315.147058156 u |
| Formula |
C18H21NO4 |
| InChI |
InChI=1S/C18H21NO4/c1-19(21)8-7-18-11-4-5-13(20)17(18)23-16-14(22-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-,19+/m0/s1 |
| InChIKey |
BDLSDHWCOJPHIE-PEKXWBJKSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
315.369 g/mol |
| Nominal Mass |
315 u |
| Quality |
904 |
| Retention Index |
2536 |
| SMILES |
O[C@@]1([C@]2([C@@]34[C@]([C@]([N@@+](CC4)([O-])C)(CC=4C3=C(O2)C(=CC4)OC)[H])(C=C1)[H])[H])[H] |
| SPLASH |
splash10-0002-4590000000-18f30ff59480ee7e26ca |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, 17-oxide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014306 |
