Structure Information
Structure

Compound Identification

SMILES

OC1=C2O[C@H]3C4=C(C[C@@]5(OCC6=CC=CC=C6Cl)[C@H]6CC(C=C1)=C2[C@@]35CCN6CC=C)C1=CC=CC=C1N4CC1=CC=CC=C1Cl

InChIKey

InChIKey=HTYQJEUASZFXBU-QJMCPCMJSA-N

Formula

C39H34Cl2N2O3

Mass

649.61

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Morphinans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Morphinans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Morphinan - Phenanthrene - Carbazole - N-alkylindole - Tetralin - 3-alkylindole - Benzylether - Indole - Coumaran - Indole or derivatives - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Aralkylamine - Substituted pyrrole - Piperidine - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Organoheterocyclic compound - Azacycle - Ether - Dialkyl ether - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.

External Descriptors

Not available

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