Compound Identification
SMILES
CC(C)OC(=O)NCCCC(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=CFGJOHJERHJQIK-BAVNHPSISA-N
Formula
C35H49N3O11S
Mass
719.85
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 Carbamic acids Secondary alcohols Oxacyclic compounds Acetals Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - Benzodioxole - Furofuran - Organosulfonic acid amide - Oxolane - Aminosulfonyl compound - Carbamic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carbamic acid - Carbamic acid derivative - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Alcohol - Organic nitrogen compound - 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