PDND
Phytochemical Database for Neurological Disorders
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Phytochemical Name : Thebaine
PCNDIDT0048
Pubchem CID : 5324289
Molecular formula: C19H21NO3

Molecular weight : 311.400

Canonical SMILES : CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC

Synonymes : THEBAINE|Paramorphine|115-37-7|Thebain|3-O-Methyl-oripavin|4,5alpha-Epoxy-3,6-dimethoxy-17-methyl-6,8-morphinadien|EINECS 204-084-1|UNII-2P9MKG8GX7|2P9MKG8GX7|(5R,9R,13S)-4,5-Epoxy-3,6-dimethoxy-9alpha-methyl-6,8-morphinadien|CHEBI:9519|(4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline|DEA No. 9333|DTXSID7046099|NCGC00160239-01|DTXCID5026099|(5alpha)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan|3,6-dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5alpha-epoxymorphinan|Morphinan, 6,7,8,14-tetradehydro-4,5-alpha-epoxy-3,6-dimethoxy-17-methyl-|CAS-115-37-7|tebaine|Thenaine|Kodein|Thebaine, powder|NCGC00247709-01|THEBAINE [MI]|D0O2LD|THEBAINE [WHO-DD]|SCHEMBL37580|CHEMBL403893|IDS-NT-002|SCHEMBL19880976|Thebaine 0.1 mg/ml in Methanol|BDBM224032|Tox21_111751|Tox21_112863|LS-92171|C06173|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|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|(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-, (5alpha)-|Morphinan, 6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methyl-,(5.alpha.)-|D4R

Structure
3D structure 2D structure
5324289
Predicted properties (NCBI Pubchem)

Physicochemical Properties