Structure Information
Structure

Compound Identification

SMILES

[O-]S([O-])(=O)=O.OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CN[C@@H](C)C(O)C1=CC=CC=C1.CN[C@@H](C)C(O)C1=CC=CC=C1.CN1CCC(CC1)=C1C2=CC=CC=C2CCC2=C1N=CC=C2

InChIKey

InChIKey=BCUARYVJCUPSFR-JJGFCBOSSA-L

Formula

C48H60N4O14S

Mass

949.08

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzocycloheptapyridines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzocycloheptapyridines

Alternative Parents

Molecular Framework

Not available

Substituents

Benzocycloheptapyridine - Phenylpropane - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Organic sulfate salt - Fatty acyl - Fatty acid - Benzenoid - Piperidine - Pyridine - Unsaturated fatty acid - Organic sulfuric acid or derivatives - Heteroaromatic compound - 1,2-aminoalcohol - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Carboxylic acid derivative - Azacycle - Carboxylic acid - Secondary aliphatic amine - Amine - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzocycloheptapyridines. These are aromatic compounds containing a benzene ring and a pyridine ring fused to a seven membered carbocycle.

External Descriptors

Not available

Previous Back Next