Compound Identification
SMILES
CC(=C)OC(=O)NCCCCC(C)(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)N([C@H]1CO[C@H]2OCC[C@@H]12)C(O)=O)S(=O)(=O)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=DFXVZJNQSRRSFQ-QKZRTXRLSA-N
Formula
C36H49N3O11S
Mass
731.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylbutylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbutylamines
Alternative Parents
Amphetamines and derivatives Benzodioxoles Furofurans Organosulfonamides Aminosulfonyl compounds Oxolanes Carbamate esters Enol esters Carbamic acids Secondary alcohols Oxacyclic compounds Acetals Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - Benzodioxole - Furofuran - Organosulfonic acid amide - Enol ester - Oxolane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carbamic acid ester - Aminosulfonyl compound - Secondary alcohol - Carbamic acid derivative - Carbamic acid - Oxacycle - Organoheterocyclic compound - Acetal - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Alcohol - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
External Descriptors
Not available