Structure Information
Structure

Compound Identification

SMILES

C1=CC=NC=C1.C\C=C\B1OB(OB(O1)\C=C/C)\C=C\C.CC(C)=CC1=CC(=CC(=C1)N(C1=CC=CC=C1)S(C)(=O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CNCC1=CC(=CC=C1)C(F)(F)F

InChIKey

InChIKey=CFMKAVSKHWKBNT-JXUMCLOXSA-N

Formula

C50H58B3F3N4O7S

Mass

948.52

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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

Not available

Substituents

Phenylbutylamine - Amphetamine or derivatives - Trifluoromethylbenzene - Sulfanilide - Benzamide - Benzoic acid or derivatives - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Organoboroxine - Pyridine - Organosulfonic acid amide - Organic sulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Carboxamide group - Boronic acid derivative - 1,2-aminoalcohol - Amino acid or derivatives - Secondary alcohol - Secondary carboxylic acid amide - Organic metalloid salt - Azacycle - Oxacycle - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Carboxylic acid derivative - Alkyl fluoride - Organohalogen compound - Organic metalloid moeity - Organofluoride - Alcohol - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Amine - Alkyl halide - Organosulfur compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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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