Compound Identification
SMILES
COC1=C(OC)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1.CC1=C(Br)C(O)=C(Br)C=C1C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC(Br)=C(O)C(Br)=C1C
InChIKey
InChIKey=LWEGQNFCNBAYPX-UHFFFAOYSA-N
Formula
C41H35Br4NO9S
Mass
1037.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Benzylisoquinolines
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Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Benzylisoquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Benzylisoquinolines
Alternative Parents
Benzofuranones Phthalides Dimethoxybenzenes Benzoxathioles Anisoles Phenoxy compounds Meta cresols O-bromophenols Alkyl aryl ethers Bromobenzenes Toluenes Aryl bromides Pyridines and derivatives Organosulfonic acid esters Heteroaromatic compounds Azacyclic compounds Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Not available
Substituents
Benzylisoquinoline - Benzofuranone - O-dimethoxybenzene - Dimethoxybenzene - Phthalide - Benzoxathiole - Anisole - Phenoxy compound - 2-halophenol - M-cresol - 2-bromophenol - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Phenol - Toluene - Benzenoid - Aryl bromide - Aryl halide - Organosulfonic acid ester - Pyridine - Monocyclic benzene moiety - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Azacycle - Oxacycle - Ether - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.
External Descriptors
Not available