Structure Information
Structure

Compound Identification

SMILES

Cl.Cl.OS(O)(=O)=O.N[C@@H]1C[C@H]1C1=CC=CC=C1.N[C@@H]1C[C@H]1C1=CC=CC=C1.CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1

InChIKey

InChIKey=BQKMLEDPPJXQHL-SWWQTYDDSA-N

Formula

C39H50Cl2F3N5O4S2

Mass

844.88

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiazines

Subclass

Phenothiazines

Intermediate Tree Nodes

Not available

Direct Parent

Phenothiazines

Alternative Parents

Molecular Framework

Not available

Substituents

Phenothiazine - Alkyldiarylamine - Diarylthioether - Aryl thioether - Tertiary aliphatic/aromatic amine - Sulfuric acid - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Para-thiazine - Piperazine - Organic sulfuric acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Azacycle - Thioether - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Hydrochloride - Alkyl fluoride - Organohalogen compound - Primary aliphatic amine - Alkyl halide - Organic oxide - Amine - Hydrocarbon derivative - Organic oxygen compound - Primary amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.

External Descriptors

Not available

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