Structure Information
Structure

Compound Identification

SMILES

Cl.COC1=CC=C(CCCCN[C@H]2CO[C@@H]3[C@H](CO[C@H]23)O[N+]([O-])=O)C=C1

InChIKey

InChIKey=YHDKSMNSAVBUOE-LOPIXSETSA-N

Formula

C17H25ClN2O6

Mass

388.85

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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 - Phenoxy compound - Anisole - Furofuran - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Organic nitrate - Oxolane - Alkyl nitrate - Organic nitro compound - Organic nitric acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Secondary amine - Secondary aliphatic amine - Ether - Organic salt - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organic cation - 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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