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Structure Information
Structure

Compound Identification

SMILES

CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1=CC2=C(C=C1)N=CN2

InChIKey

InChIKey=CBQUWIRRFQFSGN-NFBKWHNDSA-N

Formula

C28H36N4O7S

Mass

572.68

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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 - Benzimidazole - Furofuran - Organosulfonic acid amide - Azole - Imidazole - Oxolane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carbamic acid ester - Aminosulfonyl compound - Heteroaromatic compound - Secondary alcohol - Acetal - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Alcohol - 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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