Compound Identification
SMILES
[I-].CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)C[C@H](CC1=CC=C(CCC[N+](C)(C)C)C=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12
InChIKey
InChIKey=ZHNZMUBIRFCSRD-JTJGAALOSA-N
Formula
C39H54IN3O5
Mass
771.781
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Phenethylamines
- Level 5 Amphetamines and derivatives
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Subclass
Phenethylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Amphetamines and derivatives
Alternative Parents
Phenylpropylamines Indanes Aralkylamines N-acyl amines Tetraalkylammonium salts Carbamate esters Secondary carboxylic acid amides Secondary alcohols Organic carbonic acids and derivatives Organopnictogen compounds Organic zwitterions Organic oxides Organic iodide salts Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Amphetamine or derivatives - Phenylpropylamine - Indane - Aralkylamine - Fatty amide - N-acyl-amine - Fatty acyl - Tetraalkylammonium salt - Quaternary ammonium salt - Carbamic acid ester - Carboxamide group - Carbonic acid derivative - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Organic iodide salt - Organic salt - Organic zwitterion - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
External Descriptors
Not available