Dihydrothebaine structure

Dihydrothebaine

(4R,4aR,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline

Also Known As: Dihydrothebaine|8,14-Dihydrothebaine|Thebaine, dihydro-|delta(sup 6)-Dihydrothebaine|8,14 dihydrothebaine|8,14-dihydro-thebaine|DIHYDROTHEBAINE [MI]|EINECS 209-216-1|.DELTA.6-DIHYDROTHEBAINE|DELTA6-DIHYDROTHEBAINE|THEBAINE, 8,14-DIHYDRO-|4,5alpha-Epoxy-3,6-dimethoxy-17-methyl-6-morphinen|(5alpha)-6,7-Didehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan|(5R,9R,13S,14R)-4,5-Epoxy-3,6-dimethoxy-N-methyl-6-morphinen|Morphinan, 6,7-didehydro-4,5-alpha-epoxy-3,6-dimethoxy-17-methyl-|(5R,9R,13S,14R)-4,5-Epoxy-3,6-dimethoxy-N-methyl-6-morphinen [IUPAC]|3,6-Dimethoxy-17-methyl-4,5alpha-epoxy-6,7-didehydromorphinan|6,7-Didehydro-4,5alpha-epoxy-3,6-dimethoxy-17-methylmorphinan|HYDROCODONE HYDROGEN TARTRATE 2.5-HYDRATE IMPURITY J [EP IMPURITY]|MORPHINAN, 6,7-DIDEHYDRO-4,5.ALPHA.-EPOXY-3,6-DIMETHOXY-17-METHYL-|3,6-Dimethoxy-17-methyl-5alpha-6,7-didehydro-4,5-epoxymorphinan|Morphinan, 6,7-didehydro-4,5-epoxy-3,6-dimethoxy-17-methyl- (5-alpha,14-xi)-|MORPHINAN, 6,7-DIDEHYDRO-4,5-EPOXY-3,6-DIMETHOXY-17-METHYL-, (5.ALPHA.)-|(5-alpha)-6,7-Didehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan|(5R,9R,13S,14R)-4,5-Epoxy-3,6-dimethoxy-N-methyl-6-morphinen (IUPAC)|HYDROCODONE HYDROGEN TARTRATE 2.5-HYDRATE IMPURITY J (EP IMPURITY)|Morphinan, 6,7-didehydro-4,5-alpha-epoxy-3,6-dimethoxy-17-methyl-(8CI)|MORPHINAN, 6,7-DIDEHYDRO-4,5ALPHA-EPOXY-3,6-DIMETHOXY-17-METHYL-|Morphinan, 6,7-didehydro-4,5-epoxy-3,6-dimethoxy-17-methyl-(5-alpha,14-xi)-|Morphinan, 6,7-didehydro-4,5-epoxy-3,6-dimethoxy-17-methyl-(5-alpha,14-xi)-(9CI)|MORPHINAN, 6,7-DIDEHYDRO-4,5-EPOXY-3,6-DIMETHOXY-17-METHYL-, (5ALPHA)-|(1S,5R,13R,17R)-10,14-dimethoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18),14-tetraene|Morphinan, 6,7-didehydro-4,5-epoxy-3,6-dimethoxy-17-methyl-, (5a)-; Morphinan, 6,7-didehydro-4,5a-epoxy-3,6-dimethoxy-17-methyl- (8CI); Thebaine, 8,14-dihydro- (6CI); (-)-Dihydrothebaine; 8,14-Dihydrothebaine; Dihydrothebaine; ?6-Dihydrothebaine

CAS: 561-25-1
Molecular Formula C19H23NO3
Molecular Weight 313.1678 g/mol
LogP 2.5044
Topological Polar Surface Area 30.93 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 2
Exact Mass 313.1678
Monoisotopic Mass 313.1678
Heavy Atoms 23
Complexity 712.8114

Chemical Identifiers

CAS Number 561-25-1
SMILES CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=CC4)OC

Product Overview

Dihydrothebaine (CAS 561-25-1), with molecular formula C19H23NO3 and molecular weight 313.1678 g/mol. IUPAC: (4R,4aR,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline.

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