Codeine
678
Reference
Codeine Structure
Systematic / IUPAC Name: 3-Methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol
ID: Reference678
Other Names:
(-)-Codeine;
Codein;
Codeina;
Codeinum;
Codicept
; more
Formula: C18H21NO3
Class: Therapeutics/Prescription Drugs Drugs of Abuse/Illegal Drugs
Spectral Data
Codeine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | LTQ Orbitrap XL; Q Exactive Orbitrap; Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 4 |
| No. of Spectra | 306 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 11/4/2016 1:59:45 PM |
Identificators
| 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 |
| InChI Key | OROGSEYTTFOCAN-DNJOTXNNSA-N |
| Canonical SMILES | CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O |
| CAS | 76573 |
| Splash | |
| Other Names |
(-)-Codeine; Codein; Codeina; Codeinum; Codicept; Coducept; (5α,6α)-17-Methyl-3-(methyloxy)-7,8-didehydro-4,5-epoxymorphinan-6-ol; (5α,6α)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol; O3-Methylmorphine; O3-Methylmorphine; 3-Methoxy-17-methyl-7,8-didehydro-4,5α-epoxymorphinan-6α-ol; 7,8-Didehydro-4,5α-epoxy-3-methoxy-17-methylmorphinan-6α-ol; Methylmorphine; Morphinan-6α-ol, 7,8-didehydro-4,5α-epoxy-3-methoxy-17-methyl-; Morphine 3-methyl ether; Morphine 3-methyl ether ; Norcodeine, N-methyl |