Isocodeine structure

Isocodeine

(4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol

Also Known As: Isocodeine|6-Isocodeine|Isocodein|Ardinex|Iso-Codeine|?-Isocodeine|.ALPHA.-ISOCODEINE|EINECS 208-101-3|Isocodeine 0.1 mg/ml in Methanol|(5alpha,6beta)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol|Morphinan-6-beta-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-|7,8-Didehydro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan-6beta-ol|3-Methoxy-17-methyl-5alpha-7,8-didehydro-4,5-epoxymorphinan-6beta-ol|(5.alpha.,6.beta.)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol|Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6beta)-|Morphinan-6.beta.-ol, 7,8-didehydro-4,5.alpha.-epoxy-3-methoxy-17-methyl-|(1S,5R,13R,14R,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18),15-tetraen-14-ol|(4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinolin-7-ol|(4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol|208-101-3

CAS: 509-64-8
Molecular Formula C18H21NO3
Molecular Weight 299.15213 g/mol
LogP 1.5011
Topological Polar Surface Area 41.93 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 1
Exact Mass 299.15213
Monoisotopic Mass 299.15213
Heavy Atoms 22
Complexity 685.15497

Chemical Identifiers

CAS Number 509-64-8
SMILES CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@@H](C=C4)O

Product Overview

Isocodeine (CAS 509-64-8), with molecular formula C18H21NO3 and molecular weight 299.15213 g/mol. IUPAC: (4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol.

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