Compound Identification
SMILES
COCCN(CCCCC(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(OCO2)C=C1)C([O-])=O
InChIKey
InChIKey=SHOALKWHQCVSRU-MSUBEGKCSA-M
Formula
C36H50N3O12S
Mass
748.87
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 Oxolanes Aminosulfonyl compounds Carbamate esters Secondary alcohols Carbamic acids Oxacyclic compounds Acetals Dialkyl ethers Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - Benzodioxole - Furofuran - Organosulfonic acid amide - Oxolane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carbamic acid ester - Aminosulfonyl compound - Carbamic acid - Secondary alcohol - Carbamic acid derivative - Oxacycle - Organoheterocyclic compound - Acetal - Dialkyl ether - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Organic oxygen compound - Alcohol - Organic anion - 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