Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenylbutylamines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylbutylamines

Alternative Parents

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

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