Compound Identification
SMILES
CC(=O)CCC(C)(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)C1=CC2=C(OCCO2)C=C1
InChIKey
InChIKey=LRQLPSIJQBNFEE-JIPUOCAHSA-N
Formula
C33H44N2O10S
Mass
660.78
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 Benzo-1,4-dioxanes Furofurans Alkyl aryl ethers Para dioxins Organosulfonamides Carbamate esters Oxolanes Aminosulfonyl compounds Ketones Secondary alcohols Oxacyclic compounds Acetals Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - Benzo-1,4-dioxane - Benzodioxane - Furofuran - Alkyl aryl ether - Para-dioxin - Organosulfonic acid amide - Oxolane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Carbamic acid ester - Secondary alcohol - Ketone - Organoheterocyclic compound - Oxacycle - Acetal - Ether - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organosulfur compound - Alcohol - Aldehyde - 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