| 2D Structure | |
| CID | 5324289 |
| IUPAC Name | (4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline |
| 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 |
| InChI Key | FQXXSQDCDRQNQE-VMDGZTHMSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C19H21NO3 |
| Molecular Weight | 311.4 |
| synonyms | ['THEBAINE', 'Paramorphine', 'Thebain', '115-37-7', '3-O-Methyl-oripavin', '2P9MKG8GX7', '4,5alpha-Epoxy-3,6-dimethoxy-17-methyl-6,8-morphinadien', 'DTXSID7046099', '(5R,9R,13S)-4,5-Epoxy-3,6-dimethoxy-9alpha-methyl-6,8-morphinadien', 'CHEBI:9519', 'IDS-NT-002', 'DTXCID5026099', '(4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline', '3,6-dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5alpha-epoxymorphinan', '(5alpha)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan', '(4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinoline', 'RefChem:389309', '204-084-1', 'NCGC00160239-01', 'Thebaine (1.0mg/ml in Acetonitrile)', 'CAS-115-37-7', 'EINECS 204-084-1', 'UNII-2P9MKG8GX7', 'tebaine', 'Kodein', 'DEA No. 9333', 'Thebaine, powder', 'NCGC00247709-01', 'Codeine Impurity G', 'THEBAINE [MI]', 'codeine methyl enol ether', 'Thebaine CRS - * narc', 'THEBAINE [WHO-DD]', 'SCHEMBL37580', 'Thebaine, 1mg/ml in Methanol', 'CHEMBL403893', 'SCHEMBL29574789', 'GTPL13146', 'Thebaine 0.1 mg/ml in Methanol', 'BDBM224032', 'Thebaine (1 mg/ml in Acetonitrile)', 'Tox21_111751', 'Tox21_112863', 'Morphinan, 6,7,8,14-tetradehydro-4,5-alpha-epoxy-3,6-dimethoxy-17-methyl-', 'NS00005833', 'C06173', 'T-0020', 'CODEINE MONOHYDRATE IMPURITY G [EP IMPURITY]', 'Q63392872', 'OXYCODONE HYDROCHLORIDE IMPURITY F [EP IMPURITY]', 'Thebaine, European Pharmacopoeia (EP) Reference Standard', 'CODEINE HYDROCHLORIDE DIHYDRATE IMPURITY G [EP IMPURITY]', 'CODEINE PHOSPHATE HEMIHYDRATE IMPURITY G [EP IMPURITY]', 'CODEINE PHOSPHATE SESQUIHYDRATE IMPURITY G [EP IMPURITY]', '6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan', '3,6-Dimethoxy-17-methyl-5beta-6,7,8,14-tetradehydro-4,5-epoxymorphinan', 'HYDROCODONE HYDROGEN TARTRATE 2.5-HYDRATE IMPURITY I [EP IMPURITY]', '(5.ALPHA.)-6,7,8,14-TETRADEHYDRO-4,5-EPOXY-3,6-DIMETHOXY-17-METHYLMORPHINAN', 'Morphinan, 6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methyl-,(5.alpha.)-', 'D4R'] |
From Pubchem