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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzocycloheptapyridines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzocycloheptapyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzocycloheptapyridines
Alternative Parents
Phenylpropanes Aralkylamines Unsaturated fatty acids Pyridines and derivatives Piperidines Organic sulfate salts Dicarboxylic acids and derivatives Organic sulfuric acids and derivatives Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Carboxylic acids Dialkylamines Carbonyl compounds Organic oxides Aromatic alcohols Hydrocarbon derivatives Organic anions
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