| SpectraBase Spectrum ID |
8Iyb5JS23iy |
| Name |
Codeine |
| CAS Registry Number |
76-57-3 |
| Classification |
Pharmaceutical drug, narcotic analgesic |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| DEA Citation |
21 CFR §1308.13 (e) (1) (i) |
| DEA Controlled Substance Name |
Not more than 1.8 grams of codeine per 100 milliliters or not more than 90 milligrams per dosage unit, with an equal or greater quantity of an isoquinoline alkaloid of opium |
| DEA Controlled Substances Code Number |
9803 |
| DEA Schedule |
Schedule III |
| DEA Section |
Narcotic Drugs. Unless specifically excepted or unless listed in another schedule |
| Exact Mass |
299.152143537 u |
| Formula |
C18H21NO3 |
| InChI |
InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)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-/m0/s1 |
| InChIKey |
OROGSEYTTFOCAN-DNJOTXNNSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
299.370 g/mol |
| Nominal Mass |
299 u |
| Quality |
995 |
| Retention Index |
2386 |
| SMILES |
O[C@@]1([C@]2([C@]34[C@]([C@@](CC=5C4=C(O2)C(=CC5)OC)(N(CC3)C)[H])(C=C1)[H])[H])[H] |
| SPLASH |
splash10-0002-2790000000-a5a0080597dca5a41326 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3O-Methylmorphine
7,8-Didehydro-4,5-epoxy-3-methoxy-17-methyl-(5alpha,6beta)-morphinan-6-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_031036 |
